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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H28ClN7O2S
Molecular Weight 526.054
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BPR-1K871

SMILES

CN(C)CCCOC1=CC2=NC=NC(NCCC3=CN=C(NC(=O)NC4=CC=CC(Cl)=C4)S3)=C2C=C1

InChI

InChIKey=MMVLETOTGHDVPQ-UHFFFAOYSA-N
InChI=1S/C25H28ClN7O2S/c1-33(2)11-4-12-35-19-7-8-21-22(14-19)29-16-30-23(21)27-10-9-20-15-28-25(36-20)32-24(34)31-18-6-3-5-17(26)13-18/h3,5-8,13-16H,4,9-12H2,1-2H3,(H,27,29,30)(H2,28,31,32,34)

HIDE SMILES / InChI

Molecular Formula C25H28ClN7O2S
Molecular Weight 526.054
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:42:01 GMT 2023
Edited
by admin
on Sat Dec 16 13:42:01 GMT 2023
Record UNII
CDI2Y58ICE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BPR-1K871
Common Name English
DBPR114
Code English
BPR1K871
Code English
DBPR-114
Code English
Code System Code Type Description
FDA UNII
CDI2Y58ICE
Created by admin on Sat Dec 16 13:42:02 GMT 2023 , Edited by admin on Sat Dec 16 13:42:02 GMT 2023
PRIMARY
PUBCHEM
126970666
Created by admin on Sat Dec 16 13:42:02 GMT 2023 , Edited by admin on Sat Dec 16 13:42:02 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
METABOLIC ENZYME -> SUBSTRATE
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
BINDER->LIGAND
BINDING
METABOLIC ENZYME -> SUBSTRATE
TARGET -> INHIBITOR
recombinant GST-CSF1R is
IC50
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY