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Ligand

NameCHEMBL2333642
Molecular formulaC19H19ClF4N2O
IUPAC name2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
Molecular weight402.818
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50428787
SCHEMBL4185354
Inchi KeyAPJYAVYSAZEVQB-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19ClF4N2O/c20-17-10-14(19(22,23)24)9-16(26-17)11-27-12-18(5-7-25-8-6-18)13-1-3-15(21)4-2-13/h1-4,9-10,25H,5-8,11-12H2
PubChem CID24801101
ChEMBLCHEMBL2333642
IUPHARN/A
BindingDB50428787
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
11050Substance-P receptorP25103TACR1Homo sapiens (Human)407

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