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Ligand

NameCHEMBL236840
Molecular formulaC33H36ClN3O3
IUPAC nameN-(4-aminobutyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
Molecular weight558.119
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.7
Synonyms(E)-N-(4-aminobutyl)-2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-N-(2-methyl-3-phenylallyl)acetamide
BDBM50217637
Inchi KeyBXQPDOCYIGQSTK-FCDQGJHFSA-N
Inchi IDInChI=1S/C33H36ClN3O3/c1-23(19-25-9-5-4-6-10-25)22-36(18-8-7-17-35)32(38)21-29-24(2)37(31-16-15-28(40-3)20-30(29)31)33(39)26-11-13-27(34)14-12-26/h4-6,9-16,19-20H,7-8,17-18,21-22,35H2,1-3H3/b23-19+
PubChem CID44434634
ChEMBLCHEMBL236840
IUPHARN/A
BindingDB50217637
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35334Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
35333Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
35332Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
35335Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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