BREXPIPRAZOLE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H27N3O2S
Molecular Weight	433.566
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C1NC2=C(C=C1)C=CC(OCCCCN3CCN(CC3)C4=CC=CC5=C4C=CS5)=C2

InChI

InChIKey=ZKIAIYBUSXZPLP-UHFFFAOYSA-N

InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)

HIDE SMILES / InChI

Molecular Formula	C25H27N3O2S
Molecular Weight	433.566
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf | https://www.ncbi.nlm.nih.gov/pubmed/24947465
Curator's Comment: Description was created based on several sources, including https://www.drugbank.ca/drugs/DB09128

Brexpiprazole is a novel D2 dopamine and serotonin 1A partial agonist, called serotonin-dopamine activity modulator (SDAM), and a potent antagonist of serotonin 2A receptors, noradrenergic alpha 1B and 2C receptors. Brexpiprazole is approved for the treatment of schizophrenia, and as an adjunctive treatment for major depressive disorder (MDD). Although it failed Phase II clinical trials for ADHD, it has been designed to provide improved efficacy and tolerability (e.g., less akathisia, restlessness and/or insomnia) over established adjunctive treatments for major depressive disorder (MDD).Brexpiprazole is sold under the brand name Rexulti. Although the mechanism of action of brexpiprazole in the treatment of MDD and schizophrenia is unclear, the efficacy of brexpiprazole may be attributed to partial agonist activity at serotonin 1A and dopamine D2 receptors, and antagonist activity at serotonin 2A receptors.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Serotonin 1a (5-HT1a) receptor 177 Target ID: CHEMBL214 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf \| https://www.ncbi.nlm.nih.gov/pubmed/24947465	Partial Agonist 297	0.12 nM [Ki]
Serotonin 2a (5-HT2a) receptor 237 Target ID: CHEMBL224 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf \| https://www.ncbi.nlm.nih.gov/pubmed/24947465	Antagonist 2849	0.47 nM [Ki]
Dopamine D2 receptor 311 Target ID: CHEMBL217 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf \| https://www.ncbi.nlm.nih.gov/pubmed/24947465	Partial Agonist 297	0.3 nM [Ki]
Dopamine D3 receptor 97 Target ID: CHEMBL234 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf \| https://www.ncbi.nlm.nih.gov/pubmed/24947465	Partial Agonist 297	1.1 nM [Ki]
Serotonin 2b (5-HT2b) receptor 60 Target ID: CHEMBL1833 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf	Antagonist 2849	1.9 nM [Ki]
Alpha-2c adrenergic receptor 44 Target ID: CHEMBL1916 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf	Antagonist 2849	0.59 nM [Ki]
Alpha-1b adrenergic receptor 45 Target ID: CHEMBL232 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf	Antagonist 2849	0.17 nM [Ki]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Major depressive disorder 179 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf	Primary		Approved 8583	REXULTI Approved Use REXULTI is an atypical antipsychotic indicated for: • Use as an adjunctive therapy to antidepressants for the treatment of major depressive disorder (MDD) • Treatment of schizophrenia Launch Date 2015
Schizophrenia 305 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf	Primary		Approved 8583	REXULTI Approved Use REXULTI is an atypical antipsychotic indicated for: • Use as an adjunctive therapy to antidepressants for the treatment of major depressive disorder (MDD) • Treatment of schizophrenia Launch Date 2015

C_max

Value	Dose	Analyte	Population
29.3 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	1 mg 1 times / day multiple, oral dose: 1 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED
165 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	4 mg 1 times / day multiple, oral dose: 4 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED
206 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	6 mg 1 times / day multiple, oral dose: 6 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED

AUC

Value	Dose	Analyte	Population
537 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	1 mg 1 times / day multiple, oral dose: 1 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED
3238 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	4 mg 1 times / day multiple, oral dose: 4 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED
3738 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	6 mg 1 times / day multiple, oral dose: 6 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED

T_1/2

Value	Dose	Analyte	Population
91.9 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	1 mg 1 times / day multiple, oral dose: 1 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED
70.6 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	4 mg 1 times / day multiple, oral dose: 4 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED
51.9 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	6 mg 1 times / day multiple, oral dose: 6 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED

F_unbound

Value	Dose	Co-administered	Analyte	Population
1% DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/205422s005lbl.pdf	unknown, unknown		BREXPIPRAZOLE plasma	Homo sapiens population: UNKNOWN age: UNKNOWN sex: UNKNOWN food status: UNKNOWN

Doses

Dose	Population	Adverse events
4 mg 1 times / day steady, oral Recommended Dose: 4 mg, 1 times / day Route: oral Route: steady Dose: 4 mg, 1 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/30319261	unhealthy, 18-65 years Health Status: unhealthy Age Group: 18-65 years Sex: M+F Sources: https://pubmed.ncbi.nlm.nih.gov/30319261	Other AEs: Somnolence, Akathisia... Other AEs: Somnolence Akathisia Weight gain Sources: https://pubmed.ncbi.nlm.nih.gov/30319261
4 mg 1 times / day steady, oral Dose: 4 mg, 1 times / day Route: oral Route: steady Dose: 4 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf	unhealthy, 38.8 years Health Status: unhealthy Age Group: 38.8 years Sex: M+F Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf	Disc. AE: Rash, Coronary artery disease... AEs leading to discontinuation/dose reduction: Rash (0.3%) Coronary artery disease (0.1%) Gastrooesophageal reflux disease (0.1%) Irritability (0.1%) Oedema peripheral (0.1%) Hepatic enzyme increased (0.4%) Blood creatine phosphokinase increased (0.1%) Blood triglycerides increased (0.1%) Hypoglycaemia (0.1%) Rhabdomyolysis (0.2%) Convulsion (0.1%) Dizziness (0.1%) Psychomotor hyperactivity (0.1%) Agitation (0.1%) Hallucination (0.1%) Hostility (0.1%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf
4 mg 1 times / day steady, oral Dose: 4 mg, 1 times / day Route: oral Route: steady Dose: 4 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf	unhealthy, 39.5 years Health Status: unhealthy Age Group: 39.5 years Sex: M+F Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf	Disc. AE: Irritability, Electrocardiogram QT prolonged... AEs leading to discontinuation/dose reduction: Irritability (1.1%) Electrocardiogram QT prolonged (1.1%) Akathisia (1.1%) Syncope (1.1%) Tremor (1.1%) Agitation (1.1%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf
2 mg 1 times / day steady, oral Dose: 2 mg, 1 times / day Route: oral Route: steady Dose: 2 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf	unhealthy, 39.7 years Health Status: unhealthy Age Group: 39.7 years Sex: M+F Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf	Disc. AE: Anaemia folate deficiency... AEs leading to discontinuation/dose reduction: Anaemia folate deficiency (0.3%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf
2 mg 1 times / day steady, oral Dose: 2 mg, 1 times / day Route: oral Route: steady Dose: 2 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf	unhealthy, 43.9 years Health Status: unhealthy Age Group: 43.9 years Sex: M+F Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf	Disc. AE: Acute myocardial infarction, Vomiting... AEs leading to discontinuation/dose reduction: Acute myocardial infarction (0.3%) Vomiting (0.3%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf
2 mg 1 times / day steady, oral Dose: 2 mg, 1 times / day Route: oral Route: steady Dose: 2 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf	unhealthy, 43.9 years Health Status: unhealthy Age Group: 43.9 years Sex: M+F Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf	Disc. AE: Irritability, Ankle fracture... AEs leading to discontinuation/dose reduction: Irritability (0.3%) Ankle fracture (0.3%) Aspartate aminotransferase increased (0.3%) Agitation (0.3%) Hallucination (0.3%) Aggression (0.3%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf
5 mg 1 times / day steady, oral Highest studied dose Dose: 5 mg, 1 times / day Route: oral Route: steady Dose: 5 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf	unhealthy, 48 years Health Status: unhealthy Age Group: 48 years Sex: F Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf	Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf

AEs

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
substrate 1946 inhibitor 2252	inhibitor 2438	substrate 1388 inhibitor 2507

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP1A2 2153 CYP2A6 879 CYP2B6 926 CYP2C8 1057 CYP2C19 2057 CYP2E1 1060 P-gp 1741 BCRP 910 BSEP 550 OAT1 725 OAT3 747 OATP1B1 1079 OATP1B3 961 OCT1 620 OCT2 779 MATE2 267	FMO3 77 CYP1A1 389 CYP2B6 776 CYP2C19 1119 P-gp 2052 BCRP 697 OATP1B1 503 OATP1B3 435 OCT1 393

Drug as perpetrator

Target	Modality	Activity	Metabolite	Clinical evidence
CYP1A2 2333	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	no [IC50 >100 uM]
CYP1A2 2333	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	no [IC50 >100 uM]	DM-3411 1
CYP2A6 911	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	no [IC50 >100 uM]
CYP2A6 911	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	no [IC50 >100 uM]	DM-3411 1
CYP2B6 1160	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	no [IC50 >100 uM]	DM-3411 1
CYP2C19 2141	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	no [IC50 >100 uM]	DM-3411 1
CYP2C8 1117	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	no [IC50 >100 uM]
CYP2C8 1117	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	no [IC50 >100 uM]	DM-3411 1
CYP2C9 2497	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	no [IC50 >100 uM]	DM-3411 1
CYP2E1 1146	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	no [IC50 >100 uM]
OAT1 730	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no [IC50 >30 uM]
OAT1 730	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no [IC50 >30 uM]	DM-3411 1
OAT3 749	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no [IC50 >30 uM]
OAT3 749	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no [IC50 >30 uM]	DM-3411 1
OATP1B3 970	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no [IC50 >30 uM]
OATP1B3 970	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no [IC50 >30 uM]	DM-3411 1
BSEP 554	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	weak
BSEP 554	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	weak	DM-3411 1
MATE2 267	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=22 Page: 22.0	yes [IC50 0.16 uM]	DM-3411 1
BCRP 985	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=19 Page: 19.0	yes [IC50 1.16 uM]
MATE2 267	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=22 Page: 22.0	yes [IC50 1.6 uM]
OCT1 656	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	yes [IC50 11.4 uM]	DM-3411 1
OCT1 656	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	yes [IC50 13 uM]
CYP2D6 2546	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	yes [IC50 13.44 uM]
CYP2D6 2546	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	yes [IC50 15.3 uM]	DM-3411 1
CYP2C9 2497	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	yes [IC50 22.23 uM]
CYP3A4 2633	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	yes [IC50 25.8 uM]	DM-3411 1
CYP3A4 2633	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	yes [IC50 29.88 uM]		no (co-administration study) Comment: lovastatin Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0
BCRP 985	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=19 Page: 19.0	yes [IC50 3.04 uM]	DM-3411 1
CYP2C19 2141	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	yes [IC50 39.82 uM]
OCT2 782	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	yes [IC50 4.27 uM]
P-gp 1932	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=17 Page: 17.0	yes [IC50 6.3 uM]
OCT2 782	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	yes [IC50 6.5 uM]	DM-3411 1
P-gp 1932	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=19 Page: 19.0	yes [IC50 7.84 uM]	DM-3411 1
OATP1B1 1095	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	yes [IC50 8.39 uM]
OATP1B1 1095	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	yes [IC50 9.13 uM]	DM-3411 1
CYP2B6 1160	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	yes [Ki 5.01 uM]

Drug as victim

Target	Modality	Activity	Clinical evidence
OATP1B1 503	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no
OATP1B3 435	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no
OCT1 393	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no
P-gp 2052	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=19 Page: 19.0	no
BCRP 697	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=19 Page: 19.0	weak
CYP1A1 389	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=141 Page: 141.0	yes
CYP2B6 776	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=141 Page: 141.0	yes
CYP2C19 1119	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=141 Page: 141.0	yes
CYP3A4 1946	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=141 Page: 141.0	yes
FMO3 77	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=141 Page: 141.0	yes
CYP2D6 1388	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=141 Page: 141.0	yes	yes (pharmacogenomic study) Comment: In CYP2D6 PM subjects, ultra-rapid and intermediate CYP2D6 metabolizer subjects, CL/F was estimated to be -32%, +18% and -20% than the value estimated for CYP2D6 EM subjects, corresponding to +47%, -21% and +25% change in AUC in these subjects, respectively. Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=141 Page: 141.0

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY443121	https://www.001chemical.com/chem/913611-97-9
abcr GmbH	AB442842	http://www.abcr.com/shop/en/AB442842
AbMole Bioscience	M5467	http://www.abmole.com/products/brexpiprazole.html
Aceschem	ACS020011	https://www.aceschem.com/catalog/913611-97-9.html
Achemo Scientific Limited	AC-75198	http://www.achemo.com/search/?Keyword= 913611-97-9
Achemtek	0102-028922	http://www.achemtek.com/913611-97-9
Acorn PharmaTech	ACN-048731	http://www.acornpharmatech.com/
Adooq BioScience	A13527	https://www.adooq.com/brexpiprazole.html
Ambinter	Amb23439632	http://www.ambinter.com/reference/23439632
Angene	AGN-PC-0WAK5M	http://www.angenechemical.com/productshow/AGN-PC-0WAK5M.html
ApexBio Technology	B1102	http://www.apexbt.com/brexpiprazole.html
Ark Pharm	AK171366	http://www.arkpharminc.com/products/913611-97-9.html
AvaChem Scientific	4608	http://www.avachem.com/productSearch.asp?4608
BenchChem	B522024	https://www.benchchem.com/product/b522024
BioChemPartner	BCP10218	http://www.biochempartner.com/913611-97-9-BCP10218
BioChemPartner	BCP24077	http://www.biochempartner.com/Brexpiprazole-BCP24077
BioCrick	BCC4118	http://www.biocrick.com/Brexpiprazole-BCC4118.html
BOC Sciences	913611-97-9	https://www.bocsci.com/brexpiprazole-cas-913611-97-9-item-467684.html
Boerchem	BC600277	http://www.boerchem.com/?product_42204.html
Chem Scene	CS-2108	http://www.chemscene.com/913611-97-9.html
Chemenu	CM109028	http://www.chemenu.com/products/CM109028
Chemspace	CSSB00015191581	https://chem-space.com/CSSB00015191581
Clearsynth	CS-CB-00057	https://www.clearsynth.com/en/CSCB00057.html
Combi-Blocks	QJ-9589	http://www.combi-blocks.com/cgi-bin/find.cgi?QJ-9589
DC Chemicals	DC8286	http://www.dcchemicals.com/product_show-Brexpiprazole_OPC34712_.html
Debye Scientific	DA-35913	http://www.debyesci.com/cas_913611-97-9.html
eNovation Chemicals	D541253	http://www.enovationchem.com/productDetails.asp?productID=D541253
Excenen	EX-A2639	https://www.excenen.com/searchresultlist.php?id=913611-97-9
Finetech	FT-0712292	http://www.finetechnology-ind.com/prod/detail/pub/913611-97-9.html
Hairui	HR33161	http://www.hairuichem.com/en/product/913611-97-9.html
Hefei Hirisun Pharmatech Co., Ltd	HR010976	http://www.hirisunpharm.com/913611-97-9.html
Lab Network	LN01342592	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01342592
LGC Standards	MM3702.00	https://www.lgcstandards.com/US/en/p/MM3702.00
Matrix Scientific	132912	https://www.matrixscientific.com/132912.html
MedChem Express	HY-15780	https://www.medchemexpress.com/Brexpiprazole.html
Molcore	MC443121	https://www.molcore.com/product/913611-97-9
Selleck Chemicals	S4639	http://www.selleckchem.com/products/brexpiprazole.html
Smolecule	S522024	http://www.smolecule.com/products/s522024
Smolecule	S763240	https://www.smolecule.com/products/s763240
Synblock Inc	SB16735	http://www.synblock.com/product/913611-97-9.html
THE BioTek	bt-261480	https://www.thebiotek.com/product/inhibitors/bt-261480
Yuhao Chemical	LX1071	http://www.chemyuhao.com/913611-97-9.html

PubMed

Title	Date	PubMed
The preclinical profile of brexpiprazole: what is its clinical relevance for the treatment of psychiatric disorders?	2015-10	26402059
Brexpiprazole: First Global Approval.	2015-09	26310190
Brexpiprazole for schizophrenia and as adjunct for major depressive disorder: a systematic review of the efficacy and safety profile for this newly approved antipsychotic - what is the number needed to treat, number needed to harm and likelihood to be helped or harmed?	2015-09	26250067
Brexpiprazole I: in vitro and in vivo characterization of a novel serotonin-dopamine activity modulator.	2014-09	24947465

Patents

Sample Use Guides

In Vivo Use Guide

Treatment of Schizophrenia The recommended starting dosage for REXULTI (Brexpiprazole) is 1 mg once daily on Days 1 to 4, taken orally with or without food The recommended target REXULTI dosage is 2 mg to 4 mg once daily. Titrate to 2 mg once daily on Day 5 through Day 7, then to 4 mg on Day 8 based on the patient’s clinical response and tolerability. The maximum recommended daily dosage is 4 mg.

Route of Administration: Oral

In Vitro Use Guide

Brexpiprazole (1.0 uM) increased the number of cells with neurites in PC12 cells. Treatment with brexpiprazole (0.001, 0.01, 0.1 or 1.0 uM) in conjunction with NGF (2.5 ng/ml) increased the number of cells with neurites, in a concentration-dependent manner.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:51:45 GMT 2025` Edited by `admin` on `Mon Mar 31 20:51:45 GMT 2025`
Record UNII	2J3YBM1K8C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BREXPIPRAZOLE

Official Name

English

REXULTI

Preferred Name

English

Brexpiprazole [WHO-DD]

Common Name

English

OPC-34712

Code

English

BREXPIPRAZOLE [MI]

Common Name

English

brexpiprazole [INN]

Common Name

English

BREXPIPRAZOLE [USAN]

Common Name

English

BREXPIPRAZOLE [JAN]

Common Name

English

BREXPIPRAZOLE [ORANGE BOOK]

Common Name

English

Classification Tree Code System Code

WHO-ATC

N05AX16