UK-432,097

Ligand id: 8420

Name: UK-432,097

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 7
Rotatable bonds 18
Topological polar surface area 220.78
Molecular weight 777.37
XLogP 6.37
No. Lipinski's rules broken 4

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-[2,2-di(phenyl)ethylamino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide
Database Links
CAS Registry No. 380221-63-6 (source: Scifinder)
ChEMBL Ligand CHEMBL1096896
PubChem CID 9833519
RCSB PDB Ligand UKA
Search Google for chemical match using the InChIKey ZOTHAEBAWXWVID-HXEFRTELSA-N
Search Google for chemicals with the same backbone ZOTHAEBAWXWVID
Search UniChem for chemical match using the InChIKey ZOTHAEBAWXWVID-HXEFRTELSA-N
Search UniChem for chemicals with the same backbone ZOTHAEBAWXWVID
SynPHARM 82125 (in complex with A2A receptor)
Wikipedia UK-432,097