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

Details

Stereochemistry ACHIRAL
Molecular Formula C35H38N8O
Molecular Weight 586.7292
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VEVORISERTIB

SMILES

CN(C1CCN(CC1)C2=CC=CC(=C2)C3=CC=C4N=C(N(C4=N3)C5=CC=C(C=C5)C6(N)CCC6)C7=CC=CN=C7N)C(C)=O

InChI

InChIKey=NZDSLYATTDIDPH-UHFFFAOYSA-N
InChI=1S/C35H38N8O/c1-23(44)41(2)26-15-20-42(21-16-26)28-7-3-6-24(22-28)30-13-14-31-34(39-30)43(33(40-31)29-8-4-19-38-32(29)36)27-11-9-25(10-12-27)35(37)17-5-18-35/h3-4,6-14,19,22,26H,5,15-18,20-21,37H2,1-2H3,(H2,36,38)

HIDE SMILES / InChI

Molecular Formula C35H38N8O
Molecular Weight 586.7292
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 Thu Jul 06 19:49:50 UTC 2023
Edited
by admin
on Thu Jul 06 19:49:50 UTC 2023
Record UNII
V6SX910Y31
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VEVORISERTIB
INN  
Official Name English
vevorisertib [INN]
Common Name English
Vevorisertib [WHO-DD]
Common Name English
ACETAMIDE, N-(1-(3-(3-(4-(1-AMINOCYCLOBUTYL)PHENYL)-2-(2-AMINO-3-PYRIDINYL)-3H-IMIDAZO(4,5-B)PYRIDIN-5-YL)PHENYL)-4-PIPERIDINYL)-N-METHYL-
Systematic Name English
Code System Code Type Description
INN
11383
Created by admin on Thu Jul 06 19:49:50 UTC 2023 , Edited by admin on Thu Jul 06 19:49:50 UTC 2023
PRIMARY
FDA UNII
V6SX910Y31
Created by admin on Thu Jul 06 19:49:50 UTC 2023 , Edited by admin on Thu Jul 06 19:49:50 UTC 2023
PRIMARY
SMS_ID
300000027585
Created by admin on Thu Jul 06 19:49:50 UTC 2023 , Edited by admin on Thu Jul 06 19:49:50 UTC 2023
PRIMARY
CAS
1416775-46-6
Created by admin on Thu Jul 06 19:49:50 UTC 2023 , Edited by admin on Thu Jul 06 19:49:50 UTC 2023
PRIMARY
PUBCHEM
71138858
Created by admin on Thu Jul 06 19:49:50 UTC 2023 , Edited by admin on Thu Jul 06 19:49:50 UTC 2023
PRIMARY
NCI_THESAURUS
C175873
Created by admin on Thu Jul 06 19:49:50 UTC 2023 , Edited by admin on Thu Jul 06 19:49:50 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
ALLOSTERIC INHIBITOR
IC50
TARGET -> INHIBITOR
ALLOSTERIC INHIBITOR
IC50
TARGET -> INHIBITOR
ALLOSTERIC INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY