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Ligand

NameCHEMBL567198
Molecular formulaC27H34Cl3N3O2
IUPAC name4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide
Molecular weight538.938
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.5
SynonymsBDBM50299470
SCHEMBL297642
4-[4-(acetylmethyl-amino)-piperidin-1-yl]-N-(2-chloro-benzyl)-2-(3,4-dichlorophenyl)-2,N-dimethylbutyramide
Inchi KeyOZJDKUMSRQSURZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34Cl3N3O2/c1-19(34)32(4)22-11-14-33(15-12-22)16-13-27(2,21-9-10-24(29)25(30)17-21)26(35)31(3)18-20-7-5-6-8-23(20)28/h5-10,17,22H,11-16,18H2,1-4H3
PubChem CID44550460
ChEMBLCHEMBL567198
IUPHARN/A
BindingDB50299470
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
254002Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
254003Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
254004Substance-K receptorP21452TACR2Homo sapiens (Human)398
254005Substance-P receptorP25103TACR1Homo sapiens (Human)407

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