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Ligand

NameCHEMBL382668
Molecular formulaC30H34F4N4O
IUPAC name1-[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-piperidin-1-ylbutyl)urea
Molecular weight542.623
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.1
SynonymsSCHEMBL14265854
BDBM50184944
N-[trans-5-(3-cyanophenyl)bicyclo[3.1.0]hex-2-yl]-N''-[4-fluoro-3-(trifluoromethyl)phenyl)-N-[4-(1-piperidinyl)butyl]urea
Inchi KeyPADYOFAOFXVOGM-ONDZYYNLSA-N
Inchi IDInChI=1S/C30H34F4N4O/c31-26-10-9-23(18-24(26)30(32,33)34)36-28(39)38(16-5-4-15-37-13-2-1-3-14-37)27-11-12-29(19-25(27)29)22-8-6-7-21(17-22)20-35/h6-10,17-18,25,27H,1-5,11-16,19H2,(H,36,39)/t25-,27-,29-/m1/s1
PubChem CID10174940
ChEMBLCHEMBL382668
IUPHARN/A
BindingDB50184944
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
254632Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353
254633Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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