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Ligand

NameCHEMBL611791
Molecular formulaC16H31N3O10P2S
IUPAC nameN,N-diethylethanamine;[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
Molecular weight519.443
Hydrogen bond acceptor12
Hydrogen bond donor6
XlogPNone
SynonymsN/A
Inchi KeyWKIGMBRNXRUKRS-BKZSBQMKSA-N
Inchi IDInChI=1S/C10H16N2O10P2S.C6H15N/c13-6-1-2-12(10(25)11-6)9-8(15)7(14)5(22-9)3-21-24(19,20)4-23(16,17)18;1-4-7(5-2)6-3/h1-2,5,7-9,14-15H,3-4H2,(H,19,20)(H,11,13,25)(H2,16,17,18);4-6H2,1-3H3/t5-,7-,8-,9-;/m1./s1
PubChem CID44627487
ChEMBLCHEMBL611791
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
375501P2Y purinoceptor 14Q15391P2RY14Homo sapiens (Human)338
375502P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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