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Ligand

NameCHEMBL610601
Molecular formulaC30H31N7O6
IUPAC name(2S,3S,4R)-N-ethyl-3,4-dihydroxy-5-[6-[(4-methoxyphenyl)carbamoylamino]-2-(4-phenylbut-1-ynyl)purin-9-yl]oxolane-2-carboxamide
Molecular weight585.621
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP2.3
SynonymsBDBM50370450
Inchi KeyACFGIYUOTWHCCK-JVPDDODCSA-N
Inchi IDInChI=1S/C30H31N7O6/c1-3-31-28(40)25-23(38)24(39)29(43-25)37-17-32-22-26(36-30(41)33-19-13-15-20(42-2)16-14-19)34-21(35-27(22)37)12-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,13-17,23-25,29,38-39H,3,7,11H2,1-2H3,(H,31,40)(H2,33,34,35,36,41)/t23-,24+,25-,29?/m0/s1
PubChem CID46877344
ChEMBLCHEMBL610601
IUPHARN/A
BindingDB50370450
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
1501Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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