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Ligand

NameCHEMBL61466
Molecular formulaC26H34ClN3O
IUPAC name[4-[4-(4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight440.028
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.7
Synonyms[4-[4-(4-chloroanilino)-1-piperidyl]-4-methyl-1-piperidyl]-(2,6-dimethylphenyl)methanone
BDBM50143761
[1,4'-Bipiperidin]-4-amine, N-(4-chlorophenyl)-1'-(2,6-dimethylbenzoyl)-4'-methyl-
[4-[4-(4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
[4-(4-Chloro-phenylamino)-4''-methyl-[1,4'']bipiperidinyl-1''-yl]-(2,6-dimethyl-phenyl)-methanone
[ Show all ]
Inchi KeyAQZFFMQBFOQLGR-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34ClN3O/c1-19-5-4-6-20(2)24(19)25(31)29-17-13-26(3,14-18-29)30-15-11-23(12-16-30)28-22-9-7-21(27)8-10-22/h4-10,23,28H,11-18H2,1-3H3
PubChem CID3008908
ChEMBLCHEMBL61466
IUPHARN/A
BindingDB50143761
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
12229C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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