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Ligand

NameCHEMBL190842
Molecular formulaC30H35F4N5O
IUPAC name1-[(1S,2R,5S)-5-(4-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[4-(4-methylpiperazin-1-yl)butyl]urea
Molecular weight557.638
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50164246
SCHEMBL14101930
1-[(1S,2R,5S)-5-(4-Cyano-phenyl)-bicyclo[3.1.0]hex-2-yl]-3-(4-fluoro-3-trifluoromethyl-phenyl)-1-[4-(4-methyl-piperazin-1-yl)-butyl]-urea
Inchi KeyCANLJIAXOLJPQR-ONDZYYNLSA-N
Inchi IDInChI=1S/C30H35F4N5O/c1-37-14-16-38(17-15-37)12-2-3-13-39(28(40)36-23-8-9-26(31)24(18-23)30(32,33)34)27-10-11-29(19-25(27)29)22-6-4-21(20-35)5-7-22/h4-9,18,25,27H,2-3,10-17,19H2,1H3,(H,36,40)/t25-,27-,29-/m1/s1
PubChem CID44399610
ChEMBLCHEMBL190842
IUPHARN/A
BindingDB50164246
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37336Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
37337Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353
37338Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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