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Ligand

NameCHEMBL1084612
Molecular formulaC22H36N4O12P2
IUPAC nameN,N-diethylethanamine;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(phenylmethoxyamino)pyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular weight610.494
Hydrogen bond acceptor13
Hydrogen bond donor6
XlogPNone
SynonymsMRS-2964
Inchi KeyAEIHJAGESPJDDO-MOAMTLHQSA-N
Inchi IDInChI=1S/C16H21N3O12P2.C6H15N/c20-13-11(9-29-33(26,27)31-32(23,24)25)30-15(14(13)21)19-7-6-12(17-16(19)22)18-28-8-10-4-2-1-3-5-10;1-4-7(5-2)6-3/h1-7,11,13-15,20-21H,8-9H2,(H,26,27)(H,17,18,22)(H2,23,24,25);4-6H2,1-3H3/t11-,13-,14-,15-;/m1./s1
PubChem CID46831685
ChEMBLCHEMBL1084612
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3492P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
3493P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
3491P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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