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2-Amino-3H-phenoxazin-3-one 

AlkaPlorer ID: AK009423

Synonym: Questiomycin A, AV toxin C

IUPAC Name: 2-aminophenoxazin-3-one

Structure

SMILES: NC1=CC2=NC3=CC=CC=C3OC2=CC1=O

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InChI: InChI=1S/C12H8N2O2/c13-7-5-9-12(6-10(7)15)16-11-4-2-1-3-8(11)14-9/h1-6H,13H2

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InChIKey: RDJXPXHQENRCNG-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 212.208

TPSA？: 69.12

MolLogP？: 1.875

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 22387.2 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 17740.7 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 19952.6 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 22387.2 nM None
Homo sapiens Alkaline phosphatase placental-like EC50 57200.0 nM None
Homo sapiens Alkaline phosphatase, tissue-nonspecific isozyme EC50 74500.0 nM None
Homo sapiens Ataxin-2 Potency 35481.3 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 4107.8 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 39810.7 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 100000.0 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 44668.4 nM None
Homo sapiens CCRF-CEM IC50 2000.0 nM 10.1021/jm020913z
Homo sapiens CCRF-SB IC50 1000.0 nM 10.1021/jm020913z
Homo sapiens DNA dC->dU-editing enzyme APOBEC-3F Potency 31622.8 nM None
Homo sapiens DNA dC->dU-editing enzyme APOBEC-3G Potency 17782.8 nM None
Homo sapiens DNA polymerase beta Potency 25118.9 nM None
Homo sapiens DNA polymerase eta Potency 79432.8 nM None
Homo sapiens DNA polymerase iota Potency 19952.6 nM None
Homo sapiens DNA polymerase kappa Potency 44668.4 nM None
Homo sapiens Flap endonuclease 1 Potency 17782.8 nM None
Homo sapiens Geminin Potency 6513.1 nM None
Homo sapiens Geminin Potency 29092.9 nM None
Homo sapiens Glyceraldehyde-3-phosphate dehydrogenase liver Potency 100000.0 nM None
Homo sapiens Glycoprotein hormones alpha chain Potency 28183.8 nM None
Homo sapiens HeLa IC50 2700.0 nM 10.1021/jm020913z
Homo sapiens HEp-2 IC50 1800.0 nM 10.1021/jm020913z
Homo sapiens HepG2 Potency 4466.8 nM None
Homo sapiens Histone-lysine N-methyltransferase MLL Potency 31622.8 nM None
Homo sapiens Indoleamine 2,3-dioxygenase Inhibition 74.0 % 10.1021/jm400049z
Homo sapiens Indoleamine 2,3-dioxygenase Inhibition 82.0 % 10.1021/jm400049z
Homo sapiens Indoleamine 2,3-dioxygenase Inhibition 94.0 % 10.1021/jm400049z
Homo sapiens Intestinal alkaline phosphatase EC50 72100.0 nM None
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 20596.2 nM None
Homo sapiens Lethal(3)malignant brain tumor-like protein 1 Potency 15848.9 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 56234.1 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 12589.3 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 28183.8 nM None
Homo sapiens Microtubule-associated protein tau Potency 7079.5 nM None
Homo sapiens Microtubule-associated protein tau Potency 8912.5 nM None
Homo sapiens Microtubule-associated protein tau Potency 11220.2 nM None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 3548.1 nM None
Homo sapiens MT4 IC50 1200.0 nM 10.1021/jm020913z
Homo sapiens Muscleblind-like protein 1 Potency 12589.3 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 29092.9 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 35481.3 nM None
Homo sapiens Ras-related protein Rab-9A Potency 4466.8 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 1835.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 2059.6 nM None
Homo sapiens Vitamin D receptor Potency 56234.1 nM None
Human immunodeficiency virus 1 Aberrant vpr protein Potency 63095.7 nM None
Influenza A virus Nonstructural protein 1 Potency 31622.8 nM None
Mus musculus Intestinal alkaline phosphatase EC50 64100.0 nM None
Photinus pyralis Luciferin 4-monooxygenase Potency 21331.3 nM None
Plasmodium falciparum Plasmodium falciparum AbsAC35 1.01 uM None
Plasmodium falciparum Plasmodium falciparum AbsAC35 2.14 uM None
Plasmodium falciparum Plasmodium falciparum Potency 4653.5 nM None
Plasmodium falciparum 3D7 HSP40, subfamily A, putative AbsAC1000_uM 1.515 uM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 56234.1 nM None
Schistosoma mansoni Thioredoxin glutathione reductase Potency 15848.9 nM None
None NON-PROTEIN TARGET GI50 610.0 nM 10.1021/np060063g
None NON-PROTEIN TARGET GI50 4450.0 nM 10.1021/np060063g
None NON-PROTEIN TARGET GI50 6600.0 nM 10.1021/np060063g
None NON-PROTEIN TARGET TGI 2000.0 nM 10.1021/np060063g
None NON-PROTEIN TARGET TGI 10000.0 nM 10.1021/np060063g
None NON-PROTEIN TARGET TGI 26000.0 nM 10.1021/np060063g
None Unchecked AbsAC35_uM 28.02 uM None
None Unchecked IC50 368.0 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 22387.2 nM None
None Unchecked Potency 28183.8 nM None
None Unchecked Potency 29092.9 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT016312 N=C1C=CC=CC1=O.N=C1C=CC=CC1=O>>Nc1cc2nc3ccccc3oc-2cc1=O RXN-13160
AKRT020578 Nc1cc2nc3ccccc3oc-2cc1=O>>N=C1C=CC=CC1=O MNXR137860
AKRT020779 Nc1ccccc1O.Nc1ccccc1O>>Nc1cc2nc3ccccc3oc-2cc1=O R00074