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Ligand

NameCHEMBL419112
Molecular formulaC26H35ClN2O4
IUPAC name1-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-(4-methylpiperidin-1-yl)pentan-1-one
Molecular weight475.026
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.9
SynonymsSCHEMBL7351626
1-[4-amino-5-chloro-2-(3,5-dimethoxybenzyloxy)phenyl]-5-(4-methylpiperidin-1-yl)pentan-1-one
FTFGBSBKFGHMRC-UHFFFAOYSA-N
Inchi KeyFTFGBSBKFGHMRC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H35ClN2O4/c1-18-7-10-29(11-8-18)9-5-4-6-25(30)22-15-23(27)24(28)16-26(22)33-17-19-12-20(31-2)14-21(13-19)32-3/h12-16,18H,4-11,17,28H2,1-3H3
PubChem CID19081853
ChEMBLCHEMBL419112
IUPHARN/A
BindingDBN/A
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
867155-hydroxytryptamine receptor 4Q62758Htr4Rattus norvegicus (Rat)406

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