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Ligand

NameCHEMBL324671
Molecular formulaC28H36BrN3O2
IUPAC name[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight526.519
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.0
SynonymsAC1NUIOE
4-[alpha-[(E)-Methoxyimino]-4-bromobenzyl]-4'-methyl-1'-(2,6-dimethylbenzoyl)-1,4'-bi(piperidine)
[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
BDBM50115512
Methanone, (4-bromophenyl)[1'-(2,6-dimethylbenzoyl)-4'-methyl[1,4'-bipiperidin]-4-yl]-, O-methyloxime, (Z)-
[ Show all ]
Inchi KeyVCJCJIKWNXQAAJ-URGPHPNLSA-N
Inchi IDInChI=1S/C28H36BrN3O2/c1-20-6-5-7-21(2)25(20)27(33)31-18-14-28(3,15-19-31)32-16-12-23(13-17-32)26(30-34-4)22-8-10-24(29)11-9-22/h5-11,23H,12-19H2,1-4H3/b30-26+
PubChem CID5479846
ChEMBLCHEMBL324671
IUPHARN/A
BindingDB50115512
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
351563C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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