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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H33ClN2O3
Molecular Weight 517.058
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SB-743921

SMILES

CC(C)[C@@H](N(CCCN)C(=O)C1=CC=C(C)C=C1)C2=C(CC3=CC=CC=C3)C(=O)C4=CC=C(Cl)C=C4O2

InChI

InChIKey=PGXYIBJJCLWJST-MUUNZHRXSA-N
InChI=1S/C31H33ClN2O3/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30/h4-6,8-15,19-20,28H,7,16-18,33H2,1-3H3/t28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H33ClN2O3
Molecular Weight 517.058
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P52732
Gene ID: 3832.0
Gene Symbol: KIF11
Target Organism: Homo sapiens (Human)
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:01:56 GMT 2023
Edited
by admin
on Fri Dec 15 16:01:56 GMT 2023
Record UNII
24DSZ1VN92
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SB-743921
Code English
SB-743921 FREE BASE
Code English
SB 743921 [WHO-DD]
Common Name English
BENZAMIDE, N-(3-AMINOPROPYL)-N-((1R)-1-(7-CHLORO-4-OXO-3-(PHENYLMETHYL)-4H-1-BENZOPYRAN-2-YL)-2-METHYLPROPYL)-4-METHYL-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C67440
Created by admin on Fri Dec 15 16:01:56 GMT 2023 , Edited by admin on Fri Dec 15 16:01:56 GMT 2023
Code System Code Type Description
CAS
618430-39-0
Created by admin on Fri Dec 15 16:01:56 GMT 2023 , Edited by admin on Fri Dec 15 16:01:56 GMT 2023
PRIMARY
FDA UNII
24DSZ1VN92
Created by admin on Fri Dec 15 16:01:56 GMT 2023 , Edited by admin on Fri Dec 15 16:01:56 GMT 2023
PRIMARY
NCI_THESAURUS
C52199
Created by admin on Fri Dec 15 16:01:56 GMT 2023 , Edited by admin on Fri Dec 15 16:01:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID801025653
Created by admin on Fri Dec 15 16:01:56 GMT 2023 , Edited by admin on Fri Dec 15 16:01:56 GMT 2023
PRIMARY
PUBCHEM
9936388
Created by admin on Fri Dec 15 16:01:56 GMT 2023 , Edited by admin on Fri Dec 15 16:01:56 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY