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Ligand

NameCHEMBL604267
Molecular formulaC16H26N2O16P2
IUPAC name[[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
Molecular weight564.33
Hydrogen bond acceptor16
Hydrogen bond donor9
XlogP-6.0
SynonymsN/A
Inchi KeyJUTMSBQQIVKFPF-HGDXWQACSA-N
Inchi IDInChI=1S/C16H26N2O16P2/c19-4-8-12(23)13(24)14(25)15(32-8)33-36(29,30)34-35(27,28)31-5-6-3-7(11(22)10(6)21)18-2-1-9(20)17-16(18)26/h1-2,6-8,10-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26)/t6-,7-,8-,10-,11+,12-,13+,14-,15-/m1/s1
PubChem CID46226462
ChEMBLCHEMBL604267
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.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
160480P2Y purinoceptor 14Q15391P2RY14Homo sapiens (Human)338

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