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Ligand

NameCHEMBL2112181
Molecular formulaC18H23N5O5
IUPAC name(1R,2S,4S)-N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]bicyclo[2.2.1]heptane-2-carboxamide
Molecular weight389.412
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP0.3
SynonymsBDBM50421887
Inchi KeyAXQJNGXORVSYDU-HPMFRURESA-N
Inchi IDInChI=1S/C18H23N5O5/c24-5-11-13(25)14(26)18(28-11)23-7-21-12-15(19-6-20-16(12)23)22-17(27)10-4-8-1-2-9(10)3-8/h6-11,13-14,18,24-26H,1-5H2,(H,19,20,22,27)/t8-,9+,10-,11+,13+,14+,18+/m0/s1
PubChem CID71452673
ChEMBLCHEMBL2112181
IUPHARN/A
BindingDB50421887
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
16971Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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