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Ligand

NameCHEMBL178695
Molecular formulaC12H14F4N2O2S
IUPAC name3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Molecular weight326.31
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.8
Synonyms3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
7-sulfonamide-THIQ 16
BDBM13026
Inchi KeyGFLULHGGFBMVRA-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H14F4N2O2S/c13-5-10-3-8-1-2-11(4-9(8)6-17-10)21(19,20)18-7-12(14,15)16/h1-2,4,10,17-18H,3,5-7H2
PubChem CID10019263
ChEMBLCHEMBL178695
IUPHARN/A
BindingDB13026
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
95164Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450

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