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name Structure Reference Source Properties Activities Metabolism

2-Amino-1,4-naphthoquinone

AlkaPlorer ID: AK286551

Synonym: 2-Amino-1,4-naphthalenedione

IUPAC Name: 2-aminonaphthalene-1,4-dione

Structure

SMILES: NC1=CC(=O)C2=CC=CC=C2C1=O

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InChI: InChI=1S/C10H7NO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H,11H2

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InChIKey: CYCRZLRIJWDWCM-UHFFFAOYSA-N

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Reference

PubChem CID: 72909

CAS: 2348-81-4

Source

Species Genus Family Order Class Phylum Kingdom Domain
None Nocardia Nocardiaceae Mycobacteriales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 173.17099999999996

TPSA？: 60.16

MolLogP？: 0.9082000000000002

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Enterococcus faecalis Enterococcus faecalis IZ 0.0 mm 10.1016/j.ejmech.2018.06.050
Escherichia coli Escherichia coli IZ 20.0 mm 10.1016/j.ejmech.2018.06.050
Escherichia coli Escherichia coli MBC99.9 32.0 ug ml-1 10.1016/j.ejmech.2018.06.050
Escherichia coli Escherichia coli MIC 32.0 ug.mL-1 10.1016/j.ejmech.2018.06.050
Escherichia coli Escherichia coli Ratio 1.0 None 10.1016/j.ejmech.2018.06.050
Homo sapiens DNA topoisomerase I MIC 500000.0 nM 10.1016/s0960-894x(98)00600-3
Homo sapiens HepG2-CD81 HEPG2TOX ASSAY - CC50 12.0 uM 10.1126/science.aat9446
Homo sapiens HepG2-CD81 HEPG2TOX ASSAY - CC90 12.0 uM 10.1126/science.aat9446
Homo sapiens Microphthalmia-associated transcription factor AbsAC40_uM 0.3 uM None
Homo sapiens Microphthalmia-associated transcription factor AbsAC40_uM 0.372 uM None
Homo sapiens Microphthalmia-associated transcription factor AbsAC40_uM 0.813 uM None
Homo sapiens Microphthalmia-associated transcription factor AbsAC40_uM 0.966 uM None
Homo sapiens Microphthalmia-associated transcription factor AbsAC40_uM 3.41 uM None
Homo sapiens MRC5 IC50 322000.0 nM 10.1016/j.ejmech.2015.11.020
Klebsiella pneumoniae Klebsiella pneumoniae IZ 0.0 mm 10.1016/j.ejmech.2018.06.050
Mus musculus HT-22 PD50 61.0 nM 10.1021/jm301485d
Mus musculus HT-22 TC50 49000.0 nM 10.1021/jm301485d
Plasmodium berghei Plasmodium berghei LUCIFERASE EXPRESSION CONTROL - IC50 19.1 uM 10.1126/science.aat9446
Plasmodium berghei Plasmodium berghei LUCIFERASE EXPRESSION CONTROL - IC90 19.1 uM 10.1126/science.aat9446
Plasmodium berghei Plasmodium berghei LUCIFERASE INFECTION ASSAY - IC50 12.0 uM 10.1126/science.aat9446
Plasmodium berghei Plasmodium berghei LUCIFERASE INFECTION ASSAY - IC90 19.1 uM 10.1126/science.aat9446
Plasmodium falciparum Plasmodium falciparum IC50 5140.0 nM 10.1016/j.ejmech.2015.11.020
Proteus mirabilis Proteus mirabilis IZ 0.0 mm 10.1016/j.ejmech.2018.06.050
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 12.0 mm 10.1016/j.ejmech.2018.06.050
Pseudomonas aeruginosa Pseudomonas aeruginosa MBC99.9 64.0 ug ml-1 10.1016/j.ejmech.2018.06.050
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 64.0 ug.mL-1 10.1016/j.ejmech.2018.06.050
Pseudomonas aeruginosa Pseudomonas aeruginosa Ratio 1.0 None 10.1016/j.ejmech.2018.06.050
Staphylococcus aureus Staphylococcus aureus IZ 15.0 mm 10.1016/j.ejmech.2018.06.050
Staphylococcus aureus Staphylococcus aureus IZ 17.0 mm 10.1016/j.ejmech.2018.06.050
Staphylococcus aureus Staphylococcus aureus MBC99.9 64.0 ug ml-1 10.1016/j.ejmech.2018.06.050
Staphylococcus aureus Staphylococcus aureus MIC 6.0 ug.mL-1 10.1016/j.ejmech.2018.06.050
Staphylococcus aureus Staphylococcus aureus MIC 64.0 ug.mL-1 10.1016/j.ejmech.2018.06.050
Staphylococcus aureus Staphylococcus aureus Ratio 1.0 None 10.1016/j.ejmech.2018.06.050
Staphylococcus epidermidis Staphylococcus epidermidis IZ 17.0 mm 10.1016/j.ejmech.2018.06.050
Staphylococcus epidermidis Staphylococcus epidermidis MBC99.9 128.0 ug ml-1 10.1016/j.ejmech.2018.06.050
Staphylococcus epidermidis Staphylococcus epidermidis MIC 128.0 ug.mL-1 10.1016/j.ejmech.2018.06.050
Staphylococcus epidermidis Staphylococcus epidermidis Ratio 1.0 None 10.1016/j.ejmech.2018.06.050
Staphylococcus simulans Staphylococcus simulans IZ 18.0 mm 10.1016/j.ejmech.2018.06.050
Staphylococcus simulans Staphylococcus simulans MBC99.9 64.0 ug ml-1 10.1016/j.ejmech.2018.06.050
Staphylococcus simulans Staphylococcus simulans MIC 64.0 ug.mL-1 10.1016/j.ejmech.2018.06.050
Staphylococcus simulans Staphylococcus simulans Ratio 1.0 None 10.1016/j.ejmech.2018.06.050
None ADMET Log K 0.129 None 10.1021/jm9405147
None ADMET TI 803.0 None 10.1021/jm301485d
None Erythrocyte Activity 10.08 % 10.1016/j.ejmech.2018.06.050
None NON-PROTEIN TARGET AC50 45690.0 nM None
None NON-PROTEIN TARGET AC50 56900.0 nM None
None NON-PROTEIN TARGET AC50 65740.0 nM None
None NON-PROTEIN TARGET AC50 70000.0 nM None
None No relevant target LogP 1.77 None 10.1021/jm9405147
None No relevant target LogP 1.88 None 10.1021/jm9405147
None Unchecked AC50 1280.0 nM None
None Unchecked AC50 4140.0 nM None
None Unchecked AC50 5130.0 nM None
None Unchecked AC50 6750.0 nM None
None Unchecked AC50 8760.0 nM None
None Unchecked AC50 9480.0 nM None
None Unchecked AC50 12120.0 nM None
None Unchecked AC50 25100.0 nM None
None Unchecked IC50 nan None 10.1128/aac.00392-07
None Unchecked Ratio IC50 63.0 None 10.1016/j.ejmech.2015.11.020

Metabolism Information