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Ligand

NameCHEMBL100143
Molecular formulaC28H37FN2S
IUPAC name2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexylethanethioamide
Molecular weight452.676
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP8.5
SynonymsBDBM50045872
2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-N,N-dihexyl-thioacetamide
Inchi KeyCKXBLHATFOELFV-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H37FN2S/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)21-25-24-13-9-10-14-26(24)30-28(25)22-15-17-23(29)18-16-22/h9-10,13-18,30H,3-8,11-12,19-21H2,1-2H3
PubChem CID10049545
ChEMBLCHEMBL100143
IUPHARN/A
BindingDB50045872
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
44482Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
44483Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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