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Ligand

NameCHEMBL208025
Molecular formulaC29H32F4N4O2
IUPAC name1-[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-morpholin-4-ylbutyl)urea
Molecular weight544.595
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.9
SynonymsSCHEMBL14102143
BDBM50184919
N-[trans-5-(3-cyanophenyl)bicyclo[3.1.0]hex-2-yl]-N''-[4-fluoro-3-(trifluoromethyl)phenyl)-N-[4-(4-morpholinyl)butyl]urea
Inchi KeyDJCLUEPPIAINHK-OROMBRFGSA-N
Inchi IDInChI=1S/C29H32F4N4O2/c30-25-7-6-22(17-23(25)29(31,32)33)35-27(38)37(11-2-1-10-36-12-14-39-15-13-36)26-8-9-28(18-24(26)28)21-5-3-4-20(16-21)19-34/h3-7,16-17,24,26H,1-2,8-15,18H2,(H,35,38)/t24-,26-,28-/m1/s1
PubChem CID10289615
ChEMBLCHEMBL208025
IUPHARN/A
BindingDB50184919
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
61321Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
61322Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353

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