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

Details

Stereochemistry
Molecular Formula C32H30F2N4O4
Molecular Weight 572.6018
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0
Stereo Comments ATROPISOMERISM AT TWO SITES

SHOW SMILES / InChI
Structure of BMS-986142

SMILES

CN1C(=O)N(C(=O)C2=C1C(F)=CC=C2)C3=CC=CC(=C3C)C4=C5C6=C(C[C@H](CC6)C(C)(C)O)NC5=C(C=C4F)C(N)=O

InChI

InChIKey=ZRYMMWAJAFUANM-INIZCTEOSA-N
InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H30F2N4O4
Molecular Weight 572.6018
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 08:18:05 GMT 2023
Edited
by admin
on Sat Dec 16 08:18:05 GMT 2023
Record UNII
PJX9GH268R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-986142
Common Name English
Code System Code Type Description
PUBCHEM
86582336
Created by admin on Sat Dec 16 08:18:05 GMT 2023 , Edited by admin on Sat Dec 16 08:18:05 GMT 2023
PRIMARY
SMS_ID
100000178344
Created by admin on Sat Dec 16 08:18:05 GMT 2023 , Edited by admin on Sat Dec 16 08:18:05 GMT 2023
PRIMARY
DRUG BANK
DB15291
Created by admin on Sat Dec 16 08:18:05 GMT 2023 , Edited by admin on Sat Dec 16 08:18:05 GMT 2023
PRIMARY
CAS
1643368-58-4
Created by admin on Sat Dec 16 08:18:05 GMT 2023 , Edited by admin on Sat Dec 16 08:18:05 GMT 2023
PRIMARY
EVMPD
SUB194072
Created by admin on Sat Dec 16 08:18:05 GMT 2023 , Edited by admin on Sat Dec 16 08:18:05 GMT 2023
PRIMARY
FDA UNII
PJX9GH268R
Created by admin on Sat Dec 16 08:18:05 GMT 2023 , Edited by admin on Sat Dec 16 08:18:05 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
COMPETITIVE INHIBITOR
IC50
TARGET -> INHIBITOR
human whole blood assay (hWB) measuring BCR stimulated CD69 expression on B cells
COMPETITIVE INHIBITOR
IC50
BINDER->LIGAND
BINDING
OFF-TARGET->INHIBITOR
IC50
TARGET -> INHIBITOR
RAMOS CELLS
COMPETITIVE INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY