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Ligand

NameCHEMBL2113585
Molecular formulaC28H33N7O4
IUPAC name(2S,3S,4R,5R)-5-[6-[2-(1-cyclopentylindol-3-yl)ethylamino]purin-9-yl]-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight531.617
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.5
SynonymsUP-202-32
BDBM50453508
Inchi KeyAKQVBXCHXXKSGD-NLJXWPIHSA-N
Inchi IDInChI=1S/C28H33N7O4/c36-22-23(37)28(39-24(22)27(38)33-17-9-10-17)35-15-32-21-25(30-14-31-26(21)35)29-12-11-16-13-34(18-5-1-2-6-18)20-8-4-3-7-19(16)20/h3-4,7-8,13-15,17-18,22-24,28,36-37H,1-2,5-6,9-12H2,(H,33,38)(H,29,30,31)/t22-,23+,24-,28+/m0/s1
PubChem CID9828453
ChEMBLCHEMBL2113585
IUPHARN/A
BindingDB50453508
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7804Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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