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

Details

Stereochemistry ACHIRAL
Molecular Formula C31H40N4O7
Molecular Weight 580.6719
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ONX-0914

SMILES

COC1=CC=C(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[C@]4(C)CO4)C=C1

InChI

InChIKey=WQAVPPWWLLVGFK-FRDWYVIJSA-N
InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H40N4O7
Molecular Weight 580.6719
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
10.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:35:38 GMT 2023
Edited
by admin
on Sat Dec 16 08:35:38 GMT 2023
Record UNII
UID7D8IN4Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ONX-0914
Code English
L-TYROSINAMIDE, N-(2-(4-MORPHOLINYL)ACETYL)-L-ALANYL-O-METHYL-N-((1S)-2-((2R)-2-METHYL-2-OXIRANYL)-2-OXO-1-(PHENYLMETHYL)ETHYL)-
Code English
ONX0914
Code English
PR-957
Code English
Code System Code Type Description
FDA UNII
UID7D8IN4Q
Created by admin on Sat Dec 16 08:35:38 GMT 2023 , Edited by admin on Sat Dec 16 08:35:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID40731366
Created by admin on Sat Dec 16 08:35:38 GMT 2023 , Edited by admin on Sat Dec 16 08:35:38 GMT 2023
PRIMARY
PUBCHEM
46218908
Created by admin on Sat Dec 16 08:35:38 GMT 2023 , Edited by admin on Sat Dec 16 08:35:38 GMT 2023
PRIMARY
CAS
1161839-04-8
Created by admin on Sat Dec 16 08:35:38 GMT 2023 , Edited by admin on Sat Dec 16 08:35:38 GMT 2023
SUPERSEDED
CAS
960374-59-8
Created by admin on Sat Dec 16 08:35:38 GMT 2023 , Edited by admin on Sat Dec 16 08:35:38 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY