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3,4,11-trimethoxy-8,10-dihydro-7H-6-azatetraphen-10-one

AlkaPlorer ID: AK080439

Synonym: None

IUPAC Name: 2,9,10-trimethoxy-6,7-dihydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-one

Structure

SMILES: COC1=CC2=C3C=C4C=CC(OC)=C(OC)C4=C[NH+]3CCC2=CC1=O

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InChI: InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1

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InChIKey: MXTLAHSTUOXGQF-UHFFFAOYSA-O

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Properties Information

Molecule Weight: 338.3830000000001

TPSA？: 49.2

MolLogP？: -0.1819999999999999

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Candida albicans (strain WO-1) (Yeast) ATP-dependent molecular chaperone HSP82 EC50 160000.0 nM None
Entamoeba histolytica Entamoeba histolytica IC50 27.95 ug.mL-1 10.1007/s00044-011-9767-1
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 19905.4 nM None
Homo sapiens Beta-glucocerebrosidase Potency 25118.9 nM None
Homo sapiens Cytochrome P450 3A4 IC50 2100.0 nM 10.1021/np0704248
Homo sapiens DNA polymerase beta Potency 39810.7 nM None
Homo sapiens DNA polymerase iota Potency 19952.6 nM None
Homo sapiens DNA repair protein RAD52 homolog AC50 15210.0 nM None
Homo sapiens Flap endonuclease 1 Potency 31622.8 nM None
Homo sapiens Glutaminase kidney isoform, mitochondrial Potency 31622.8 nM None
Homo sapiens HaCaT Activity nan None 10.1016/j.bmc.2019.115093
Homo sapiens HaCaT Inhibition nan % 10.1016/j.bmc.2019.115093
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 89125.1 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 12589.3 nM None
Homo sapiens Lysine-specific histone demethylase 1 IC50 1550.0 nM 10.1016/j.ejmech.2021.113254
Homo sapiens Lysosomal alpha-glucosidase Potency 7079.5 nM None
Homo sapiens Microtubule-associated protein tau Potency 15848.9 nM None
Homo sapiens Muscleblind-like protein 1 Potency 15848.9 nM None
Homo sapiens Prelamin-A/C Potency 11220.2 nM None
Homo sapiens Survival motor neuron protein Potency 3162.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 25929.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29092.9 nM None
Human immunodeficiency virus 1 Aberrant vpr protein Potency 63095.7 nM None
Influenza A virus (strain A/USSR/90/1977 H1N1) Neuraminidase IC50 66200.0 nM 10.1016/j.bmc.2014.09.004
Influenza A virus (strain A/USSR/90/1977 H1N1) Neuraminidase IC50 76300.0 nM 10.1016/j.bmc.2014.09.004
Mus musculus C2C12 Activity nan None 10.1016/j.bmcl.2017.02.003
Mus musculus Nuclear receptor ROR-gamma Potency 35481.3 nM None
Mycobacterium sp. Mycobacterium sp. MIC 100.0 ug.mL-1 10.1016/j.ejmech.2017.06.005
Plasmodium falciparum Plasmodium falciparum Potency 116.9 nM None
Plasmodium falciparum Plasmodium falciparum Potency 414.7 nM None
Rattus norvegicus Inositol monophosphatase 1 Potency 12589.3 nM None
Simian virus 40 Large T antigen IC50 10120.0 nM None
Staphylococcus aureus Staphylococcus aureus FICI 0.375 None 10.1016/j.bmc.2023.117187
Staphylococcus aureus Staphylococcus aureus MIC 16000.0 ug.mL-1 10.1016/j.bmc.2023.117187
None Unchecked AC50 20000.0 nM None
None Unchecked AC50 39000.0 nM None
None Unchecked EC50 2906.0 nM None
None Unchecked EC50 160000.0 nM None
None Unchecked IC50 4220.0 nM None
None Unchecked IC50 37000.0 nM 10.1016/j.bmc.2014.09.004

Metabolism Information