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Ligand

NameCHEMBL565894
Molecular formulaC29H33Cl2F4N3O2
IUPAC name2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide
Molecular weight602.496
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP6.0
SynonymsBDBM50299468
SCHEMBL296501
2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluoromethylbenzyl)-2,N-dimethyl-4-[4-(2-oxo-pyrrolidin-1-yl)-piperidin-1-yl]-butyramide
Inchi KeyXNEWLEJBYAVWCK-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33Cl2F4N3O2/c1-28(20-6-7-23(30)24(31)17-20,11-15-37-13-9-21(10-14-37)38-12-3-4-26(38)39)27(40)36(2)18-19-5-8-25(32)22(16-19)29(33,34)35/h5-8,16-17,21H,3-4,9-15,18H2,1-2H3
PubChem CID25221995
ChEMBLCHEMBL565894
IUPHARN/A
BindingDB50299468
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
396245Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
396246Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
396247Substance-K receptorP21452TACR2Homo sapiens (Human)398
396248Substance-P receptorP25103TACR1Homo sapiens (Human)407

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