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Ligand

NameCHEMBL3618335
Molecular formulaC22H20ClN5O2
IUPAC name6-(4-chlorophenyl)-3-[6-(4-hydroxypiperidin-1-yl)pyridin-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-one
Molecular weight421.885
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50120623
SCHEMBL2390913
Inchi KeyGFGHQEWOLXQMRD-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20ClN5O2/c23-17-3-1-15(2-4-17)16-11-20-22(30)27(14-25-28(20)13-16)18-5-6-21(24-12-18)26-9-7-19(29)8-10-26/h1-6,11-14,19,29H,7-10H2
PubChem CID45279680
ChEMBLCHEMBL3618335
IUPHARN/A
BindingDB50120623
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
474614Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
474615Melanin-concentrating hormone receptor 1P97639Mchr1Rattus norvegicus (Rat)353

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