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Ligand

NameCHEMBL593842
Molecular formulaC14H22N2O16P2
IUPAC name[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
Molecular weight536.276
Hydrogen bond acceptor16
Hydrogen bond donor8
XlogP-6.2
SynonymsDiphosphoric Acid 1''''-alpha-D-[5'''']Arabinofuranosyl Ester 2-(uridin-5''-yl)ester
BDBM50304041
Inchi KeySKYUZXPVTIYYCT-NWBHGABRSA-N
Inchi IDInChI=1S/C14H22N2O16P2/c17-7-1-2-16(14(23)15-7)12-10(20)8(18)5(30-12)3-28-33(24,25)32-34(26,27)29-4-6-9(19)11(21)13(22)31-6/h1-2,5-6,8-13,18-22H,3-4H2,(H,24,25)(H,26,27)(H,15,17,23)/t5-,6-,8-,9-,10-,11+,12-,13+/m1/s1
PubChem CID46226477
ChEMBLCHEMBL593842
IUPHARN/A
BindingDB50304041
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
316933P2Y purinoceptor 14Q15391P2RY14Homo sapiens (Human)338

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