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Ligand

NameCHEMBL426339
Molecular formulaC25H33ClFN5O
IUPAC name1-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(3-chloro-4-fluorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]urea
Molecular weight474.021
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.8
SynonymsSCHEMBL3984545
AMCXJTXNFNTRKC-UHFFFAOYSA-N
BDBM50203356
1-(7-amino-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-(3-chloro-4-fluoro-phenyl)-1-[3-(4-methyl-piperazin-1-yl)-propyl]-urea
1-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)urea
Inchi KeyAMCXJTXNFNTRKC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33ClFN5O/c1-30-11-13-31(14-12-30)9-2-10-32(25(33)29-21-6-8-24(27)23(26)17-21)22-7-4-18-3-5-20(28)15-19(18)16-22/h3,5-6,8,15,17,22H,2,4,7,9-14,16,28H2,1H3,(H,29,33)
PubChem CID44417989
ChEMBLCHEMBL426339
IUPHARN/A
BindingDB50203356
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
8752Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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