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Ligand

NameCHEMBL381810
Molecular formulaC27H34ClFN4O
IUPAC name3-(3-chloro-4-fluorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-1-[(1S,2R,5S)-5-phenyl-2-bicyclo[3.1.0]hexanyl]urea
Molecular weight485.044
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
SynonymsN''-(3-chloro-4-fluorophenyl)-N-[3-(4-methyl-1-piperazinyl)-propyl]-N-[trans-5-phenylbicyclo[3.1.0]hex-2-yl]urea
3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)-1-((1S,2R,5S)-5-phenylbicyclo[3.1.0]hexan-2-yl)urea
SCHEMBL14265866
BDBM50184931
Inchi KeyOTUYJHFHWAHNGR-AVPJRLCVSA-N
Inchi IDInChI=1S/C27H34ClFN4O/c1-31-14-16-32(17-15-31)12-5-13-33(26(34)30-21-8-9-24(29)23(28)18-21)25-10-11-27(19-22(25)27)20-6-3-2-4-7-20/h2-4,6-9,18,22,25H,5,10-17,19H2,1H3,(H,30,34)/t22-,25-,27-/m1/s1
PubChem CID11648753
ChEMBLCHEMBL381810
IUPHARN/A
BindingDB50184931
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
250230Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353
250231Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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