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Ligand

NameCHEMBL112351
Molecular formulaC10H9F3N2O2
IUPAC name7-nitro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Molecular weight246.189
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.3
SynonymsBDBM50079900
223916-01-6
Isoquinoline, 1,2,3,4-tetrahydro-7-nitro-3-(trifluoromethyl)-
7-nitro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
3-trifluoromethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline
[ Show all ]
Inchi KeyAZEWYBRFBDWZGW-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H9F3N2O2/c11-10(12,13)9-4-6-1-2-8(15(16)17)3-7(6)5-14-9/h1-3,9,14H,4-5H2
PubChem CID10332138
ChEMBLCHEMBL112351
IUPHARN/A
BindingDB50079900
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18085Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450

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