AZD5582

Ligand id: 7710

Name: AZD5582

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 6
Rotatable bonds 24
Topological polar surface area 199.54
Molecular weight 1014.59
XLogP 8.37
No. Lipinski's rules broken 4

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1S,2R)-2-[6-[[(1S,2R)-1-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]oxy]hexa-2,4-diynoxy]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide
Synonyms
AZD 5582 | AZD-5582
Database Links
ChEMBL Ligand CHEMBL3108827
GtoPdb PubChem SID 223366043
PubChem CID 49847690
Search Google for chemical match using the InChIKey WLMCRYCCYXHPQF-ZVMUOSSASA-N
Search Google for chemicals with the same backbone WLMCRYCCYXHPQF
Search UniChem for chemical match using the InChIKey WLMCRYCCYXHPQF-ZVMUOSSASA-N
Search UniChem for chemicals with the same backbone WLMCRYCCYXHPQF
Comments
AZD5582 is a Smac mimetic which acts as an antagonist of the inhibitor of apoptosis proteins (IAPs). It was investigated as a potential therapeutic for solid tumours. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox.
The chemical structure represented here was drawn from [1], where it is compound 14.