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

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 Sat Dec 16 19:00:37 GMT 2023
Edited
by admin
on Sat Dec 16 19:00:37 GMT 2023
Record UNII
FKO8A7AD54
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BOCIDELPAR
USAN  
Official 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
ASP-0367
Code English
Code System Code Type Description
USAN
JK-32
Created by admin on Sat Dec 16 19:00:38 GMT 2023 , Edited by admin on Sat Dec 16 19:00:38 GMT 2023
PRIMARY
SMS_ID
300000026332
Created by admin on Sat Dec 16 19:00:38 GMT 2023 , Edited by admin on Sat Dec 16 19:00:38 GMT 2023
PRIMARY
NCI_THESAURUS
C186401
Created by admin on Sat Dec 16 19:00:38 GMT 2023 , Edited by admin on Sat Dec 16 19:00:38 GMT 2023
PRIMARY
PUBCHEM
126752383
Created by admin on Sat Dec 16 19:00:38 GMT 2023 , Edited by admin on Sat Dec 16 19:00:38 GMT 2023
PRIMARY
CAS
2095128-20-2
Created by admin on Sat Dec 16 19:00:38 GMT 2023 , Edited by admin on Sat Dec 16 19:00:38 GMT 2023
PRIMARY
INN
11924
Created by admin on Sat Dec 16 19:00:38 GMT 2023 , Edited by admin on Sat Dec 16 19:00:38 GMT 2023
PRIMARY
FDA UNII
FKO8A7AD54
Created by admin on Sat Dec 16 19:00:38 GMT 2023 , Edited by admin on Sat Dec 16 19:00:38 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> ACTIVATOR
CV-1 CELLS
ACTIVATOR
EC50
TARGET -> ACTIVATOR
ACTIVATOR
EC50
METABOLIC ENZYME -> INHIBITOR
70% INHIBITION AT 10 MICROMOLAR
IC50
METABOLIC ENZYME -> INHIBITOR
57% INHIBITION AT 10 MICROMOLAR
IC50
OFF-TARGET->INHIBITOR
IC50
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY