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Ligand

NameCHEMBL1257182
Molecular formulaC19H22F3N5O2S
IUPAC name2-[[2-[4-(azetidin-1-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Molecular weight441.473
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50417079
SCHEMBL3452414
Inchi KeyCFTGBZNNRAGCKX-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22F3N5O2S/c20-19(21,22)16-11(8-26-6-3-7-26)9-27(25-16)10-14(28)24-18-15(17(23)29)12-4-1-2-5-13(12)30-18/h9H,1-8,10H2,(H2,23,29)(H,24,28)
PubChem CID52942855
ChEMBLCHEMBL1257182
IUPHARN/A
BindingDB50417079
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
40955Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194

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