U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H31N5O5
Molecular Weight 445.512
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Admilparant

SMILES

CCCN(C)C(=O)OCC1=C(N=NN1C)C2=CC=C(O[C@H]3CCC[C@@H](C3)C(O)=O)C(C)=N2

InChI

InChIKey=UEUNDURNLYLSNB-HOTGVXAUSA-N
InChI=1S/C22H31N5O5/c1-5-11-26(3)22(30)31-13-18-20(24-25-27(18)4)17-9-10-19(14(2)23-17)32-16-8-6-7-15(12-16)21(28)29/h9-10,15-16H,5-8,11-13H2,1-4H3,(H,28,29)/t15-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H31N5O5
Molecular Weight 445.512
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:12:43 GMT 2023
Edited
by admin
on Sat Dec 16 14:12:43 GMT 2023
Record UNII
4UN9AOU6G8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Admilparant
USAN  
Official Name English
BMS-986278
Code English
ADMILPARANT [USAN]
Common Name English
(1S,3S)-3-({2-methyl-6-[1-methyl-5-({[(methyl)(propyl)carbamoyl]oxy}methyl)-1H-1,2,3-triazol-4-yl]pyridin-3-yl}oxy)cyclohexane-1-carboxylic acid
Systematic Name English
Cyclohexanecarboxylic acid, 3-[[2-methyl-6-[1-methyl-5-[[[(methylpropylamino)carbonyl]oxy]methyl]-1H-1,2,3-triazol-4-yl]-3-pyridinyl]oxy]-, (1S,3S)-
Systematic Name English
BMS-986,278
Code English
BMS986278
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 668018
Created by admin on Sat Dec 16 14:12:43 GMT 2023 , Edited by admin on Sat Dec 16 14:12:43 GMT 2023
Code System Code Type Description
CAS
2170126-74-4
Created by admin on Sat Dec 16 14:12:43 GMT 2023 , Edited by admin on Sat Dec 16 14:12:43 GMT 2023
PRIMARY
FDA UNII
4UN9AOU6G8
Created by admin on Sat Dec 16 14:12:43 GMT 2023 , Edited by admin on Sat Dec 16 14:12:43 GMT 2023
PRIMARY
CAS
2170128-94-4
Created by admin on Sat Dec 16 14:12:43 GMT 2023 , Edited by admin on Sat Dec 16 14:12:43 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
USAN
LM-77
Created by admin on Sat Dec 16 14:12:43 GMT 2023 , Edited by admin on Sat Dec 16 14:12:43 GMT 2023
PRIMARY
PUBCHEM
132232205
Created by admin on Sat Dec 16 14:12:43 GMT 2023 , Edited by admin on Sat Dec 16 14:12:43 GMT 2023
PRIMARY
INN
12981
Created by admin on Sat Dec 16 14:12:43 GMT 2023 , Edited by admin on Sat Dec 16 14:12:43 GMT 2023
PRIMARY
SMS_ID
300000013320
Created by admin on Sat Dec 16 14:12:43 GMT 2023 , Edited by admin on Sat Dec 16 14:12:43 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
LISTED AS Kb
Kd
Related Record Type Details
ACTIVE MOIETY