Ligand Id: 375
Ligand name CGS 21680

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

Summary Biological activity References Structure Similar ligands Radio analogues
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
2-(4-[2-carboxyethyl]-phenethylamino)adenosine-5'-N-ethyluronamide
3-[4-[2-[[6-amino-9-[5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-purin-2-yl]amino]ethyl]phenyl]propanoic acid
CGS21680
Database Links
ChEBI CHEBI:292029
ChEMBL Ligand 189466, 292029, 350634, 140457
PubChem CID 3086599
Search on ChemSpider PAOANWZGLPPROA-RQXXJAGISA-N
Wikipedia CGS-21680
ZINC ZINC03918045
iPHACE TU89UTNX

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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