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Ligand

NameCHEMBL612064
Molecular formulaC19H33N3O12P2
IUPAC name[but-3-ynoxy(hydroxy)phosphoryl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;N,N-diethylethanamine
Molecular weight557.43
Hydrogen bond acceptor13
Hydrogen bond donor5
XlogPNone
SynonymsN/A
Inchi KeyGQCWMQZGMICAJL-WNEHWFFFSA-N
Inchi IDInChI=1S/C13H18N2O12P2.C6H15N/c1-2-3-6-24-28(20,21)27-29(22,23)25-7-8-10(17)11(18)12(26-8)15-5-4-9(16)14-13(15)19;1-4-7(5-2)6-3/h1,4-5,8,10-12,17-18H,3,6-7H2,(H,20,21)(H,22,23)(H,14,16,19);4-6H2,1-3H3/t8-,10-,11-,12-;/m1./s1
PubChem CID44627596
ChEMBLCHEMBL612064
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
102532P2Y purinoceptor 14Q15391P2RY14Homo sapiens (Human)338
102531P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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