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Ligand

NameCHEMBL229461
Molecular formulaC24H26ClFN4OS
IUPAC name3-(3-chloro-4-fluorophenyl)-1-[4-(5-cyanothiophen-2-yl)cyclohex-3-en-1-yl]-1-(2-pyrrolidin-1-ylethyl)urea
Molecular weight473.007
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50215596
3-(3-chloro-4-fluorophenyl)-1-(4-(5-cyanothiophen-2-yl)cyclohex-3-enyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
Inchi KeyOKAMPOAKKCFXPX-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26ClFN4OS/c25-21-15-18(5-9-22(21)26)28-24(31)30(14-13-29-11-1-2-12-29)19-6-3-17(4-7-19)23-10-8-20(16-27)32-23/h3,5,8-10,15,19H,1-2,4,6-7,11-14H2,(H,28,31)
PubChem CID44424269
ChEMBLCHEMBL229461
IUPHARN/A
BindingDB50215596
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
243305Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353
243306Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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