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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H38N4O3
Molecular Weight 502.6477
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Zilurgisertib

SMILES

NC1=C(C=C(C=N1)C2=CC=C(C=C2)[C@@]34C[C@@H]3CN(C4)C5CCOCC5)C(=O)NC67CCC(O)(CC6)CC7

InChI

InChIKey=KPRPFTOLWQQUAV-OCVAFRRMSA-N
InChI=1S/C30H38N4O3/c31-26-25(27(35)33-28-7-10-29(36,11-8-28)12-9-28)15-21(17-32-26)20-1-3-22(4-2-20)30-16-23(30)18-34(19-30)24-5-13-37-14-6-24/h1-4,15,17,23-24,36H,5-14,16,18-19H2,(H2,31,32)(H,33,35)/t23-,28?,29?,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H38N4O3
Molecular Weight 502.6477
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 14:48:17 GMT 2023
Edited
by admin
on Sat Dec 16 14:48:17 GMT 2023
Record UNII
L5Z9S25HO2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Zilurgisertib
INN   USAN  
Official Name English
3-Pyridinecarboxamide, 2-amino-N-(4-hydroxybicyclo[2.2.2]oct-1-yl)-5-[4-[(1R,5S)-3-(tetrahydro-2H-pyran-4-yl)-3-azabicyclo[3.1.0]hex-1-yl]phenyl]-
Systematic Name English
ZILURGISERTIB [USAN]
Common Name English
NBU928 FREE BASE
Code English
zilurgisertib [INN]
Common Name English
2-amino-N-(4-hydroxybicyclo[2.2.2]octan-1-yl)-5-{4-[(1R,5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl}pyridine-3-carboxamide
Systematic Name English
INCB-000928
Code English
NBU-928 FREE BASE
Code English
INCB000928
Code English
Code System Code Type Description
INN
12123
Created by admin on Sat Dec 16 14:48:18 GMT 2023 , Edited by admin on Sat Dec 16 14:48:18 GMT 2023
PRIMARY
PUBCHEM
138628908
Created by admin on Sat Dec 16 14:48:18 GMT 2023 , Edited by admin on Sat Dec 16 14:48:18 GMT 2023
PRIMARY
NCI_THESAURUS
C175551
Created by admin on Sat Dec 16 14:48:18 GMT 2023 , Edited by admin on Sat Dec 16 14:48:18 GMT 2023
PRIMARY
CAS
2173389-57-4
Created by admin on Sat Dec 16 14:48:18 GMT 2023 , Edited by admin on Sat Dec 16 14:48:18 GMT 2023
PRIMARY
USAN
KL-253
Created by admin on Sat Dec 16 14:48:18 GMT 2023 , Edited by admin on Sat Dec 16 14:48:18 GMT 2023
PRIMARY
FDA UNII
L5Z9S25HO2
Created by admin on Sat Dec 16 14:48:18 GMT 2023 , Edited by admin on Sat Dec 16 14:48:18 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY