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Ligand

NameCHEMBL608020
Molecular formulaC18H22N6O3S2
IUPAC name(3R,4S,5S)-2-[6-(cyclopentylamino)purin-9-yl]-5-(1,3-thiazol-2-ylsulfanylmethyl)oxolane-3,4-diol
Molecular weight434.533
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP2.6
SynonymsBDBM50451996
Inchi KeyAGMGBBJIURGCRA-IKYDMHQPSA-N
Inchi IDInChI=1S/C18H22N6O3S2/c25-13-11(7-29-18-19-5-6-28-18)27-17(14(13)26)24-9-22-12-15(20-8-21-16(12)24)23-10-3-1-2-4-10/h5-6,8-11,13-14,17,25-26H,1-4,7H2,(H,20,21,23)/t11-,13-,14-,17?/m1/s1
PubChem CID46875615
ChEMBLCHEMBL608020
IUPHARN/A
BindingDB50451996
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5011Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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