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Ligand

NameCHEMBL1162552
Molecular formulaC13H25N3O12P2
IUPAC nameazane;tert-butyl [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Molecular weight477.3
Hydrogen bond acceptor13
Hydrogen bond donor6
XlogPNone
SynonymsN/A
Inchi KeyFLTAEJQANFRCIY-VYFIMUGFSA-N
Inchi IDInChI=1S/C13H22N2O12P2.H3N/c1-13(2,3)26-29(22,23)27-28(20,21)24-6-7-9(17)10(18)11(25-7)15-5-4-8(16)14-12(15)19;/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,20,21)(H,22,23)(H,14,16,19);1H3/t7-,9-,10-,11-;/m1./s1
PubChem CID44627693
ChEMBLCHEMBL1162552
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
81558P2Y purinoceptor 14Q15391P2RY14Homo sapiens (Human)338
81559P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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