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Ligand

NameCHEMBL234843
Molecular formulaC21H24BrClN2O3
IUPAC namemethyl N-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]carbamate
Molecular weight467.788
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.8
Synonymsmethyl 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4-ylcarbamate
AYIBIKRCBZSMCC-UHFFFAOYSA-N
methyl N-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-piperidyl]carbamate
BDBM50205749
[1-[[5-Bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-piperidinyl]carbamic acid, methyl ester
[ Show all ]
Inchi KeyAYIBIKRCBZSMCC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24BrClN2O3/c1-27-21(26)24-19-8-10-25(11-9-19)13-16-12-17(22)4-7-20(16)28-14-15-2-5-18(23)6-3-15/h2-7,12,19H,8-11,13-14H2,1H3,(H,24,26)
PubChem CID44431951
ChEMBLCHEMBL234843
IUPHARN/A
BindingDB50205749
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
17479C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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