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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H25N3O3S
Molecular Weight 459.56
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PAVINETANT

SMILES

CC[C@H](NC(=O)C1=C(NS(C)(=O)=O)C(=NC2=CC=CC=C12)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=QYTBBBAHNIWFOD-NRFANRHFSA-N
InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H25N3O3S
Molecular Weight 459.56
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:46:50 UTC 2023
Edited
by admin
on Sat Dec 16 01:46:50 UTC 2023
Record UNII
3U471ZVC5K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PAVINETANT
INN   USAN  
Official Name English
AZD4901
Code English
AZD2624
Code English
Pavinetant [WHO-DD]
Common Name English
MLE4901
Code English
PAVINETANT [USAN]
Common Name English
AZD-2624
Code English
4-QUINOLINECARBOXAMIDE, 3-((METHYLSULFONYL)AMINO)-2-PHENYL-N-((1S)-1-PHENYLPROPYL)-
Systematic Name English
3-(Methanesulfonamido)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
Systematic Name English
AZD-4901
Code English
MLE-4901
Code English
pavinetant [INN]
Common Name English
AZD 4901 [WHO-DD]
Common Name English
AZ-12472520
Code English
AZ12472520
Code English
Code System Code Type Description
NCI_THESAURUS
C166698
Created by admin on Sat Dec 16 01:46:50 UTC 2023 , Edited by admin on Sat Dec 16 01:46:50 UTC 2023
PRIMARY
FDA UNII
3U471ZVC5K
Created by admin on Sat Dec 16 01:46:50 UTC 2023 , Edited by admin on Sat Dec 16 01:46:50 UTC 2023
PRIMARY
PUBCHEM
23649245
Created by admin on Sat Dec 16 01:46:50 UTC 2023 , Edited by admin on Sat Dec 16 01:46:50 UTC 2023
PRIMARY
USAN
DE-149
Created by admin on Sat Dec 16 01:46:50 UTC 2023 , Edited by admin on Sat Dec 16 01:46:50 UTC 2023
PRIMARY
INN
10773
Created by admin on Sat Dec 16 01:46:50 UTC 2023 , Edited by admin on Sat Dec 16 01:46:50 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545233
Created by admin on Sat Dec 16 01:46:50 UTC 2023 , Edited by admin on Sat Dec 16 01:46:50 UTC 2023
PRIMARY
SMS_ID
100000181125
Created by admin on Sat Dec 16 01:46:50 UTC 2023 , Edited by admin on Sat Dec 16 01:46:50 UTC 2023
PRIMARY
EPA CompTox
DTXSID10916204
Created by admin on Sat Dec 16 01:46:50 UTC 2023 , Edited by admin on Sat Dec 16 01:46:50 UTC 2023
PRIMARY
DRUG BANK
DB11692
Created by admin on Sat Dec 16 01:46:50 UTC 2023 , Edited by admin on Sat Dec 16 01:46:50 UTC 2023
PRIMARY
CAS
941690-55-7
Created by admin on Sat Dec 16 01:46:50 UTC 2023 , Edited by admin on Sat Dec 16 01:46:50 UTC 2023
PRIMARY
WIKIPEDIA
AZD-2624
Created by admin on Sat Dec 16 01:46:50 UTC 2023 , Edited by admin on Sat Dec 16 01:46:50 UTC 2023
PRIMARY
CHEBI
140478
Created by admin on Sat Dec 16 01:46:50 UTC 2023 , Edited by admin on Sat Dec 16 01:46:50 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY