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Ligand

NameCHEMBL323454
Molecular formulaC27H35BrN2O2
IUPAC name[4-[4-[(4-bromophenyl)-hydroxymethyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight499.493
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.2
SynonymsAC1LACIA
1,4'-Bipiperidine, 4-[(4-bromophenyl)hydroxymethyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl-
{4-[(4-Bromo-phenyl)-hydroxy-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,6-dimethyl-phenyl)-methanone
BDBM50115524
[4-[4-[(4-bromophenyl)-hydroxy-methyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,6-dimethylphenyl)methanone
[ Show all ]
Inchi KeyIYUGABYSRYTCQT-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H35BrN2O2/c1-19-5-4-6-20(2)24(19)26(32)29-17-13-27(3,14-18-29)30-15-11-22(12-16-30)25(31)21-7-9-23(28)10-8-21/h4-10,22,25,31H,11-18H2,1-3H3
PubChem CID511298
ChEMBLCHEMBL323454
IUPHARN/A
BindingDB50115524
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
145016C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354
145017C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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