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Ligand

NameCHEMBL518544
Molecular formulaC23H30N7O8P
IUPAC name(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[2-[4-(diethoxyphosphorylmethyl)anilino]-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight563.508
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-1.2
SynonymsSCHEMBL13210992
Inchi KeyZIGQJTCDPMPONX-QPXQOZNCSA-N
Inchi IDInChI=1S/C23H30N7O8P/c1-3-36-39(35,37-4-2)10-13-5-7-14(8-6-13)29-15(31)9-25-22(34)19-17(32)18(33)23(38-19)30-12-28-16-20(24)26-11-27-21(16)30/h5-8,11-12,17-19,23,32-33H,3-4,9-10H2,1-2H3,(H,25,34)(H,29,31)(H2,24,26,27)/t17-,18+,19-,23+/m0/s1
PubChem CID24948921
ChEMBLCHEMBL518544
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
429156P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
429157P2Y purinoceptor 6Q63371P2ry6Rattus norvegicus (Rat)328

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