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Ligand

NameCHEMBL384116
Molecular formulaC33H35Cl4N3O
IUPAC name2-[1-(1-cyclopentylpiperidin-4-yl)-6-(2,5-dichlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3,5-dichlorophenyl)acetamide
Molecular weight631.463
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP8.9
SynonymsSCHEMBL13918017
BDBM50190894
2-(1-(1-cyclopentylpiperidin-4-yl)-6-(2,5-dichlorophenyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-(3,5-dichlorophenyl)acetamide
Inchi KeyAOGVTUDRZQZUJZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H35Cl4N3O/c34-24-6-8-31(37)30(19-24)22-5-7-29-23(15-22)11-14-40(20-32(41)38-27-17-25(35)16-26(36)18-27)33(29)21-9-12-39(13-10-21)28-3-1-2-4-28/h5-8,15-19,21,28,33H,1-4,9-14,20H2,(H,38,41)
PubChem CID44416173
ChEMBLCHEMBL384116
IUPHARN/A
BindingDB50190894
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10229Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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