AZD4017

Ligand id: 7695

Name: AZD4017

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 107.83
Molecular weight 419.22
XLogP 4.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-3-yl]acetic acid
Synonyms
AZD 4017 | AZD-4017
Database Links
CAS Registry No. 1024033-43-9 (source: Scifinder)
ChEMBL Ligand CHEMBL2153191
GtoPdb PubChem SID 223366028
PubChem CID 24946280
RCSB PDB Ligand 14M
Search Google for chemical match using the InChIKey NCDZABJPWMBMIQ-INIZCTEOSA-N
Search Google for chemicals with the same backbone NCDZABJPWMBMIQ
Search UniChem for chemical match using the InChIKey NCDZABJPWMBMIQ-INIZCTEOSA-N
Search UniChem for chemicals with the same backbone NCDZABJPWMBMIQ
Comments
AZD4017 is a selective inhibitor of 11-beta-hydroxysteroid dehydrogenase type 1 (11β-HSD1) [2-3]. This compound is listed in AstraZeneca's OpenInnovation Pharmacology Toolbox .