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Ligand

NameCHEMBL1161872
Molecular formulaC22H35N5O15P2S2
IUPAC nameazane;[[(2R,3S,4R,5R)-5-(4-ethylsulfanyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-ethylsulfanyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Molecular weight735.61
Hydrogen bond acceptor18
Hydrogen bond donor7
XlogPNone
SynonymsN/A
Inchi KeyFOUXJMBNEBWBFF-HGIFBTNHSA-N
Inchi IDInChI=1S/C22H32N4O15P2S2.H3N/c1-3-44-13-5-7-25(21(31)23-13)19-17(29)15(27)11(39-19)9-37-42(33,34)41-43(35,36)38-10-12-16(28)18(30)20(40-12)26-8-6-14(45-4-2)24-22(26)32;/h5-8,11-12,15-20,27-30H,3-4,9-10H2,1-2H3,(H,33,34)(H,35,36);1H3/t11-,12-,15-,16-,17-,18-,19-,20-;/m1./s1
PubChem CID16082745
ChEMBLCHEMBL1161872
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.
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
83660P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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