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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H33N3O3S
Molecular Weight 419.581
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZD-4017

SMILES

CCCSC1=C(C=CC(=N1)N2CCC[C@@H](CC(O)=O)C2)C(=O)NC3CCCCC3

InChI

InChIKey=NCDZABJPWMBMIQ-INIZCTEOSA-N
InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H33N3O3S
Molecular Weight 419.581
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 05:34:57 UTC 2023
Edited
by admin
on Sat Dec 16 05:34:57 UTC 2023
Record UNII
3JL137394Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZD-4017
Common Name English
3-PIPERIDINEACETIC ACID, 1-(5-((CYCLOHEXYLAMINO)CARBONYL)-6-(PROPYLTHIO)-2-PYRIDINYL)-, (3S)-
Common Name English
AZD 4017 [WHO-DD]
Common Name English
AZD4017
Code English
Code System Code Type Description
FDA UNII
3JL137394Y
Created by admin on Sat Dec 16 05:34:57 UTC 2023 , Edited by admin on Sat Dec 16 05:34:57 UTC 2023
PRIMARY
DRUG BANK
DB14875
Created by admin on Sat Dec 16 05:34:57 UTC 2023 , Edited by admin on Sat Dec 16 05:34:57 UTC 2023
PRIMARY
NCI_THESAURUS
C148516
Created by admin on Sat Dec 16 05:34:57 UTC 2023 , Edited by admin on Sat Dec 16 05:34:57 UTC 2023
PRIMARY
PUBCHEM
24946280
Created by admin on Sat Dec 16 05:34:57 UTC 2023 , Edited by admin on Sat Dec 16 05:34:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID80145044
Created by admin on Sat Dec 16 05:34:57 UTC 2023 , Edited by admin on Sat Dec 16 05:34:57 UTC 2023
PRIMARY
CAS
1024033-43-9
Created by admin on Sat Dec 16 05:34:57 UTC 2023 , Edited by admin on Sat Dec 16 05:34:57 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY