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Ligand

NameCHEMBL190068
Molecular formulaC27H30ClFN4O2
IUPAC name3-(3-chloro-4-fluorophenyl)-1-[(1R,3R,6S)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]urea
Molecular weight497.011
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50164247
3-(3-Chloro-4-fluoro-phenyl)-1-[(1R,3R,6S)-6-(3-cyano-phenyl)-bicyclo[4.1.0]hept-3-yl]-1-[2-((R)-3-hydroxy-pyrrolidin-1-yl)-ethyl]-urea
Inchi KeyKJGRXEJUJKUECU-PGTSUSQTSA-N
Inchi IDInChI=1S/C27H30ClFN4O2/c28-24-14-21(4-5-25(24)29)31-26(35)33(11-10-32-9-7-23(34)17-32)22-6-8-27(15-20(27)13-22)19-3-1-2-18(12-19)16-30/h1-5,12,14,20,22-23,34H,6-11,13,15,17H2,(H,31,35)/t20-,22+,23+,27+/m0/s1
PubChem CID11785261
ChEMBLCHEMBL190068
IUPHARN/A
BindingDB50164247
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
170463Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
170464Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353
170462Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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