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Ligand

NameCHEMBL3526290
Molecular formulaC24H21NO3
IUPAC name5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoic acid
Molecular weight371.436
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.7
Synonyms5-[3-(1-Naphthylcarbonyl)-1H-indole-1-yl]pentanoic acid
ZINC64858578
C24H21NO3
1422AH
JWH-018 5-Pentanoic acid metabolite solution, 100 mug/mL in methanol, ampule of 1 mL, certified reference material
[ Show all ]
Inchi KeyBYIVGHIYNFQIJX-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H21NO3/c26-23(27)14-5-6-15-25-16-21(19-11-3-4-13-22(19)25)24(28)20-12-7-9-17-8-1-2-10-18(17)20/h1-4,7-13,16H,5-6,14-15H2,(H,26,27)
PubChem CID53394451
ChEMBLCHEMBL3526290
IUPHARN/A
BindingDB50088441
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
443115Cannabinoid receptor 1P47746Cnr1Mus musculus (Mouse)473

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