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Ligand

NameCHEMBL3115788
Molecular formulaC19H25NO3
IUPAC name5-(2-hexyl-1H-indol-3-yl)-5-oxopentanoic acid
Molecular weight315.413
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50446959
SCHEMBL286749
5-Oxo-5-(2-hexyl-1H-indole-3-yl)pentanoic acid
Inchi KeyIIOVMPGYTVCWDZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H25NO3/c1-2-3-4-5-11-16-19(17(21)12-8-13-18(22)23)14-9-6-7-10-15(14)20-16/h6-7,9-10,20H,2-5,8,11-13H2,1H3,(H,22,23)
PubChem CID66644000
ChEMBLCHEMBL3115788
IUPHARN/A
BindingDB50446959
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
134066Oxoeicosanoid receptor 1Q8TDS5OXER1Homo sapiens (Human)423

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