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Ligand

NameCHEMBL3115791
Molecular formulaC21H29NO3
IUPAC name5-(2-hexyl-1-methylindol-3-yl)-3-methyl-5-oxopentanoic acid
Molecular weight343.467
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.7
SynonymsSCHEMBL16005486
3-Methyl-5-oxo-5-(1-methyl-2-hexyl-1H-indole-3-yl)pentanoic acid
SCHEMBL4570517
BDBM50446956
Inchi KeyOSMLYVRRHMJPHC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H29NO3/c1-4-5-6-7-12-18-21(19(23)13-15(2)14-20(24)25)16-10-8-9-11-17(16)22(18)3/h8-11,15H,4-7,12-14H2,1-3H3,(H,24,25)
PubChem CID49804581
ChEMBLCHEMBL3115791
IUPHARN/A
BindingDB50446956
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
249354Oxoeicosanoid receptor 1Q8TDS5OXER1Homo sapiens (Human)423

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