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Aaptamine

AlkaPlorer ID: AK063808

Synonym: 8,9-Dimethoxy-1H-benzo[de][1,6]naphthyridine 

IUPAC Name: 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),7,9,11-hexaene

Structure

SMILES: COC1=CC2=CC=NC3=C2C(=C1OC)NC=C3

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InChI: InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,15H,1-2H3

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InChIKey: IVXSXOFPZFVZTM-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 228.251

TPSA？: 43.38

MolLogP？: 2.6482

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A498 ED50 3.2 ug ml-1 10.1021/np0204592
Homo sapiens A549 IC50 2.8 ug.mL-1 10.1021/np990156g
Homo sapiens Alpha-synuclein Activity nan None 10.1021/acs.jnatprod.2c01140
Homo sapiens Endothelial PAS domain-containing protein 1 EC50 100000.0 nM 10.1021/np300211x
Homo sapiens Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] 1 IC50 120000.0 nM 10.1016/j.bmcl.2011.09.009
Homo sapiens HeLa IC50 15.0 ug.mL-1 10.1016/j.bmcl.2010.04.029
Homo sapiens HeLa IC50 19000.0 nM 10.1021/acs.jnatprod.0c00769
Homo sapiens HL-60 IC50 55000.0 nM 10.1021/np0204038
Homo sapiens HT-29 IC50 6.9 ug.mL-1 10.1021/np990156g
Homo sapiens KM-20L2 ED50 3.6 ug ml-1 10.1021/np0204592
Homo sapiens MCF7 IC50 20000.0 nM 10.1021/acs.jnatprod.0c00769
Homo sapiens NB-4 IC50 20000.0 nM 10.1021/acs.jnatprod.0c00769
Homo sapiens NCI-H460 ED50 3.2 ug ml-1 10.1021/np0204592
Homo sapiens OVCAR-3 ED50 4.9 ug ml-1 10.1021/np0204592
Homo sapiens SF-295 ED50 4.1 ug ml-1 10.1021/np0204592
Homo sapiens SK-MEL-5 ED50 4.3 ug ml-1 10.1021/np0204592
Mus musculus L5178Y GI 100.0 % 10.1021/np300794b
Mus musculus L5178Y IC50 8300.0 nM 10.1021/np300794b
Mus musculus P388 ED50 3.6 ug ml-1 10.1021/np0204592
Mus musculus P388 IC50 0.6 ug.mL-1 10.1021/np990156g
Staphylococcus aureus Sortase A IC50 23.5 ug.mL-1 10.1016/j.bmcl.2007.08.007
Staphylococcus aureus Staphylococcus aureus MIC 200.0 ug.mL-1 10.1016/j.bmcl.2007.08.007
None NON-PROTEIN TARGET IC50 3.9 ug.mL-1 10.1021/np990156g
None Radical scavenging activity Activity nan None 10.1021/np0204038
None Unchecked Activity 50.0 % 10.1021/acs.jmedchem.0c02026
None Unchecked Activity 72.2 % 10.1021/acs.jmedchem.0c02026
None Unchecked IC50 1.6 ug.mL-1 10.1016/j.bmcl.2010.04.029
None Unchecked IC50 2.7 ug.mL-1 10.1016/j.bmcl.2010.04.029
None Unchecked IC50 4.3 ug.mL-1 10.1016/j.bmcl.2010.04.029
None Unchecked IC50 4.6 ug.mL-1 10.1016/j.bmcl.2010.04.029
None Unchecked IC50 18.0 ug.mL-1 10.1016/j.bmcl.2010.04.029
None Unchecked IC50 20000.0 nM 10.1021/acs.jnatprod.0c00769
None Unchecked IC50 120000.0 nM 10.1016/j.bmcl.2007.01.052
None Unchecked Inhibition 40.3 % 10.1021/acs.jmedchem.0c02026

Metabolism Information