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Ligand

NameCHEMBL110219
Molecular formulaC33H38Cl2N4O2
IUPAC name2-[(1-benzylpiperidin-4-yl)amino]-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]ethanone
Molecular weight593.593
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.9
SynonymsBDBM50120180
L020326
2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichloro-phenyl)-4-(3,5-dimethyl-benzoyl)-piperazin-1-yl]-ethanone
SCHEMBL6470617
Inchi KeyMUQJKGMXKAWCJF-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H38Cl2N4O2/c1-23-16-24(2)18-27(17-23)33(41)38-14-15-39(31(22-38)26-8-9-29(34)30(35)19-26)32(40)20-36-28-10-12-37(13-11-28)21-25-6-4-3-5-7-25/h3-9,16-19,28,31,36H,10-15,20-22H2,1-2H3
PubChem CID10145229
ChEMBLCHEMBL110219
IUPHARN/A
BindingDB50120180
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
214577Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
214580Substance-K receptorP21452TACR2Homo sapiens (Human)398
214578Substance-P receptorP25103TACR1Homo sapiens (Human)407
214579Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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