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Ligand

NameCHEMBL3182872
Molecular formulaC18H18F3N3O5S
IUPAC name1-methylsulfonyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
Molecular weight445.413
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogPNone
SynonymsVU0360267-1
Inchi KeyAGAUHTHTRFGUCL-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H17N3O3S.C2HF3O2/c1-23(21,22)19-14-7-3-2-5-12(14)8-9-15(19)16(20)18-13-6-4-10-17-11-13;3-2(4,5)1(6)7/h2-7,10-11,15H,8-9H2,1H3,(H,18,20);(H,6,7)
PubChem CID60210906
ChEMBLCHEMBL3182872
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
463456Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203

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