CGS 21680

Ligand id: 375

Name: CGS 21680

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 11
Topological polar surface area 197.74
Molecular weight 499.22
XLogP 2.12
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
Synonyms
CGS-21680 | CGS21680
Database Links
CAS Registry No. 120225-54-9 (source: Scifinder)
ChEMBL Ligand CHEMBL331372
PubChem CID 3086599
RCSB PDB Ligand NGI
Search Google for chemical match using the InChIKey PAOANWZGLPPROA-RQXXJAGISA-N
Search Google for chemicals with the same backbone PAOANWZGLPPROA
Search UniChem for chemical match using the InChIKey PAOANWZGLPPROA-RQXXJAGISA-N
Search UniChem for chemicals with the same backbone PAOANWZGLPPROA
SynPHARM 1460 (in complex with A2A receptor)
Wikipedia CGS-21680