GUSACITINIB

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H28N8O2
Molecular Weight	460.5315
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1CCN(CC1)C2=CC=C(NC3=NC(=NC4=C3C(=O)NN=C4)N5CCC(CC#N)CC5)C=C2

InChI

InChIKey=NLFLXLJXEIUQDL-UHFFFAOYSA-N

InChI=1S/C24H28N8O2/c25-10-5-16-6-11-32(12-7-16)24-28-20-15-26-30-23(34)21(20)22(29-24)27-17-1-3-18(4-2-17)31-13-8-19(33)9-14-31/h1-4,15-16,19,33H,5-9,11-14H2,(H,30,34)(H,27,28,29)

HIDE SMILES / InChI

Molecular Formula	C24H28N8O2
Molecular Weight	460.5315
Charge	0
Count

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

Approval Year

C_max

Value	Dose	Analyte	Population
67.8 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	20 mg single, oral dose: 20 mg route of administration: Oral experiment type: SINGLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
136 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
186 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	80 mg single, oral dose: 80 mg route of administration: Oral experiment type: SINGLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
82.9 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	20 mg 1 times / day multiple, oral dose: 20 mg route of administration: Oral experiment type: MULTIPLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
171 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	40 mg 1 times / day multiple, oral dose: 40 mg route of administration: Oral experiment type: MULTIPLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
252 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	80 mg 1 times / day multiple, oral dose: 80 mg route of administration: Oral experiment type: MULTIPLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

AUC

Value	Dose	Analyte	Population
580 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	20 mg single, oral dose: 20 mg route of administration: Oral experiment type: SINGLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1410 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
2120 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	80 mg single, oral dose: 80 mg route of administration: Oral experiment type: SINGLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
850 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	20 mg 1 times / day multiple, oral dose: 20 mg route of administration: Oral experiment type: MULTIPLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
2097 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	40 mg 1 times / day multiple, oral dose: 40 mg route of administration: Oral experiment type: MULTIPLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
3281 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	80 mg 1 times / day multiple, oral dose: 80 mg route of administration: Oral experiment type: MULTIPLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

T_1/2

Value	Dose	Analyte	Population
6.62 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	20 mg single, oral dose: 20 mg route of administration: Oral experiment type: SINGLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
9.1 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
11.2 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	80 mg single, oral dose: 80 mg route of administration: Oral experiment type: SINGLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
7.33 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	20 mg 1 times / day multiple, oral dose: 20 mg route of administration: Oral experiment type: MULTIPLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
10.7 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	40 mg 1 times / day multiple, oral dose: 40 mg route of administration: Oral experiment type: MULTIPLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
14.1 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30919407/	80 mg 1 times / day multiple, oral dose: 80 mg route of administration: Oral experiment type: MULTIPLE co-administered:	GUSACITINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:07:20 GMT 2025` Edited by `admin` on `Mon Mar 31 22:07:20 GMT 2025`
Record UNII	4801QYW816
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GUSACITINIB

Official Name

English

GUSACITINIB [USAN]

Preferred Name

English

ASN002

Code

English

1-(4-(4-(4-HYDROXY-PIPERIDIN-1-YL)-PHENYLAMINO)-5-OXO-5,6-DIHYDRO-PYRIMIDO(4,5-D)PYRIDAZIN-2-YL)-PIPERIDIN-4-YL-ACETONITRILE

Systematic Name

English

EN-3351

Code

English

ASN-002

Code

English

EN3351

Code

English

4-PIPERIDINEACETONITRILE, 1-(5,6-DIHYDRO-4-((4-(4-HYDROXY-1-PIPERIDINYL)PHENYL)AMINO)-5-OXOPYRIMIDO(4,5-D)PYRIDAZIN-2-YL)-

Systematic Name

English

gusacitinib [INN]

Common Name

English

Gusacitinib [WHO-DD]

Common Name

English

Code System Code Type Description

SMS_ID

300000005943