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Ligand

NameCHEMBL2158321
Molecular formulaC12H9FO3S
IUPAC name2-[(4-fluorophenyl)sulfanylmethyl]-5-hydroxypyran-4-one
Molecular weight252.259
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.1
SynonymsMLS-0445749.0001
2-(((4-fluorophenyl)thio)methyl)-5-hydroxy-4H-pyran-4-one
AKOS026681379
NSC518106
5-hydroxy-2-((4-fluorophenylthio)methyl)-4H-pyran-4-one
[ Show all ]
Inchi KeyAJMZFXUDUORRMI-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H9FO3S/c13-8-1-3-10(4-2-8)17-7-9-5-11(14)12(15)6-16-9/h1-6,15H,7H2
PubChem CID351037
ChEMBLCHEMBL2158321
IUPHARN/A
BindingDB50393954
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7055Apelin receptorP35414APLNRHomo sapiens (Human)380
7054Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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