BOCIDELPAR

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H27F3N2O3
Molecular Weight	460.4887
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BOCIDELPAR

Structure Search

SMILES

C[C@H](CCCOC1=CC=CC=C1CN2C(C)=CN=C2C3=CC=C(C=C3)C(F)(F)F)CC(O)=O

InChI

InChIKey=FMOPHFSPINWSOV-QGZVFWFLSA-N

InChI=1S/C25H27F3N2O3/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H27F3N2O3
Molecular Weight	460.4887
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:15:19 GMT 2025` Edited by `admin` on `Wed Apr 02 13:15:19 GMT 2025`
Record UNII	FKO8A7AD54
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BOCIDELPAR

Official Name

English

ASP-0367

Preferred Name

English

MTB-1

Code

English

HEXANOIC ACID, 3-METHYL-6-(2-((5-METHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)-1H-IMIDAZOL-1-YL)METHYL)PHENOXY)-, (3R)-

Systematic Name

English

bocidelpar [INN]

Common Name

English

ASP0367

Code

English

BOCIDELPAR [USAN]

Common Name

English

MA-0211

Code

English

Code System Code Type Description

USAN

JK-32

Created by admin on Wed Apr 02 13:15:19 GMT 2025 , Edited by admin on Wed Apr 02 13:15:19 GMT 2025

PRIMARY

SMS_ID

300000026332

Created by admin on Wed Apr 02 13:15:19 GMT 2025 , Edited by admin on Wed Apr 02 13:15:19 GMT 2025

PRIMARY

NCI_THESAURUS

C186401

Created by admin on Wed Apr 02 13:15:19 GMT 2025 , Edited by admin on Wed Apr 02 13:15:19 GMT 2025

PRIMARY

PUBCHEM

126752383

Created by admin on Wed Apr 02 13:15:19 GMT 2025 , Edited by admin on Wed Apr 02 13:15:19 GMT 2025

PRIMARY

CAS

2095128-20-2

Created by admin on Wed Apr 02 13:15:19 GMT 2025 , Edited by admin on Wed Apr 02 13:15:19 GMT 2025

PRIMARY

INN

11924

Created by admin on Wed Apr 02 13:15:19 GMT 2025 , Edited by admin on Wed Apr 02 13:15:19 GMT 2025

PRIMARY

FDA UNII

FKO8A7AD54

Created by admin on Wed Apr 02 13:15:19 GMT 2025 , Edited by admin on Wed Apr 02 13:15:19 GMT 2025

PRIMARY

Related Record Type Details


					L1Q8TMD5IZ

PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA

TARGET -> ACTIVATOR

Comments:

CV-1 CELLS

Interaction Type:

ACTIVATOR

Qualification:

EC50

Amount:


					L1Q8TMD5IZ

PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA

TARGET -> ACTIVATOR

Interaction Type:

ACTIVATOR

Qualification:

EC50

Amount:


					081I12ZA58

CYTOCHROME P450 2C19

METABOLIC ENZYME -> INHIBITOR

Comments:

70% INHIBITION AT 10 MICROMOLAR

Qualification:

IC50

Amount:


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> INHIBITOR

Comments:

57% INHIBITION AT 10 MICROMOLAR

Qualification:

IC50

Amount:


					SEV29N8JND

POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY H MEMBER 2

OFF-TARGET->INHIBITOR

Qualification:

IC50

Amount:


					LWF2PR5DHD

BOCIDELPAR SULFATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					FKO8A7AD54

ACTIVE MOIETY