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Ligand

NameCHEMBL65715
Molecular formulaC28H37FN2O4
IUPAC name2-[5-[4-[5-(4-fluorophenyl)pentan-2-yl]-2,6-dihydroxyphenyl]-4-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylacetamide
Molecular weight484.612
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.8
Synonyms2-[5-{4-[4-(4-Fluoro-phenyl)-1-methyl-butyl]-2,6-dihydroxy-phenyl}-4-(1-hydroxy-1-methyl-ethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-acetamide
BDBM50000713
Inchi KeyBRBLCPVLTMTIQM-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H37FN2O4/c1-18(6-5-7-19-8-10-21(29)11-9-19)20-14-24(32)27(25(33)15-20)22-16-31(17-26(34)30-4)13-12-23(22)28(2,3)35/h8-11,14-15,18,32-33,35H,5-7,12-13,16-17H2,1-4H3,(H,30,34)
PubChem CID14983499
ChEMBLCHEMBL65715
IUPHARN/A
BindingDB50000713
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
30851Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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