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name Structure Reference Source Properties Activities Metabolism

2-Amino-1,4-benzenediol; N-Me, N-nitroso 

AlkaPlorer ID: AK070648

Synonym: 2-(N-Methyl-N-nitrosoamino)-1,4-benzenediol, Dephostatin 

IUPAC Name: N-(2,5-dihydroxyphenyl)-N-methylnitrous amide

Structure

SMILES: CN(N=O)C1=C(O)C=CC(O)=C1

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InChI: InChI=1S/C7H8N2O3/c1-9(8-12)6-4-5(10)2-3-7(6)11/h2-4,10-11H,1H3

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InChIKey: HCJOLYFWJWJPTJ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Streptomyces sp. Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 168.152

TPSA？: 73.13000000000001

MolLogP？: 1.2153999999999998

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis (strain 168) DNA polymerase III Potency 23778.1 nM None
Escherichia coli GroEL/GroES Inhibition 98.0 % 10.1016/j.bmcl.2019.02.028
Escherichia coli GroEL/GroES Inhibition 100.0 % 10.1016/j.bmcl.2019.02.028
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 14125.4 nM None
Homo sapiens 78 kDa glucose-regulated protein Potency 13091.8 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 19952.6 nM None
Homo sapiens Alpha-synuclein Potency 16360.1 nM None
Homo sapiens Alpha-synuclein Potency 22387.2 nM None
Homo sapiens Amyloid-beta A4 protein Potency 29092.9 nM None
Homo sapiens Arachidonate 15-lipoxygenase Potency 15848.9 nM None
Homo sapiens Ataxin-2 Potency 28183.8 nM None
Homo sapiens Ataxin-2 Potency 31622.8 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 1584.9 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 7943.3 nM None
Homo sapiens Bloom syndrome protein Potency 28183.8 nM None
Homo sapiens Breast cancer type 1 susceptibility protein Potency 31622.8 nM None
Homo sapiens Caspase-1 Potency 31622.8 nM None
Homo sapiens Cerebroside-sulfatase Potency 21331.3 nM None
Homo sapiens Chromobox protein homolog 1 Potency 3548.1 nM None
Homo sapiens Chromobox protein homolog 1 Potency 50118.7 nM None
Homo sapiens Cytochrome P450 1A2 AC50 31622.78 nM None
Homo sapiens Cytochrome P450 2C19 AC50 25118.86 nM None
Homo sapiens Cytochrome P450 2C19 Potency 25118.9 nM None
Homo sapiens Cytochrome P450 2C9 AC50 10000.0 nM None
Homo sapiens Cytochrome P450 2C9 Potency 10000.0 nM None
Homo sapiens Cytochrome P450 2D6 AC50 31622.78 nM None
Homo sapiens Cytochrome P450 2D6 Potency 31622.8 nM None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 1412.5 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 25118.9 nM None
Homo sapiens DNA polymerase beta Potency 1258.9 nM None
Homo sapiens DNA polymerase eta Potency 1412.5 nM None
Homo sapiens DNA polymerase iota Potency 2238.7 nM None
Homo sapiens DNA polymerase iota Potency 11220.2 nM None
Homo sapiens DNA polymerase kappa Potency 37685.8 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 1995.3 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 10000.0 nM None
Homo sapiens Flap endonuclease 1 Potency 11917.3 nM None
Homo sapiens Flap endonuclease 1 Potency 12589.3 nM None
Homo sapiens Flap endonuclease 1 Potency 26679.5 nM None
Homo sapiens Guanine nucleotide-binding protein G(i) subunit alpha-1/Regulator of G-protein signaling 12 Potency 31622.8 nM None
Homo sapiens HEK293 Potency 16353.5 nM None
Homo sapiens HepG2 Potency 14125.4 nM None
Homo sapiens Histone acetyltransferase GCN5 Potency 28183.8 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 597.3 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 3548.1 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 10000.0 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 6309.6 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 28183.8 nM None
Homo sapiens Microtubule-associated protein tau Potency 10000.0 nM None
Homo sapiens Microtubule-associated protein tau Potency 11220.2 nM None
Homo sapiens Microtubule-associated protein tau Potency 15848.9 nM None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 15848.9 nM None
Homo sapiens M-phase phosphoprotein 8 Potency 8912.5 nM None
Homo sapiens M-phase phosphoprotein 8 Potency 29934.9 nM None
Homo sapiens Muscleblind-like protein 1 Potency 12589.3 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 9200.0 nM None
Homo sapiens Nuclear factor NF-kappa-B p105 subunit Potency 7.1 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 50118.7 nM None
Homo sapiens Peripheral myelin protein 22 Potency 37933.0 nM None
Homo sapiens Prelamin-A/C Potency 4.5 nM None
Homo sapiens Protein-tyrosine phosphatase 1B Rate constant 0.5 mM 10.1016/0960-894X(95)00156-N
Homo sapiens Protein-tyrosine phosphatase 1B Rate constant 65.0 M-1 min-1 10.1016/0960-894X(95)00156-N
Homo sapiens Protein-tyrosine phosphatase 1B Rate constant 158.0 M-1 min-1 10.1016/0960-894X(95)00156-N
Homo sapiens Pyruvate kinase isozymes M1/M2 Potency 3981.1 nM None
Homo sapiens Regulator of G-protein signaling 12 Potency 6309.6 nM None
Homo sapiens Regulator of G-protein signaling 4 Potency 23778.1 nM None
Homo sapiens Regulator of G-protein signaling 4 Potency 35481.3 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 39810.7 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 3689.8 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 23280.9 nM None
Homo sapiens SH-SY5Y Potency 31622.8 nM None
Homo sapiens Thrombopoietin Potency 3981.1 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 12589.3 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 14125.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 501.2 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 2 Potency 15848.9 nM None
Homo sapiens Vitamin D receptor Potency 44668.4 nM None
Homo sapiens Vitamin D receptor Potency 70794.6 nM None
Influenza A virus Nonstructural protein 1 Potency 17782.8 nM None
Leishmania mexicana Pyruvate kinase Potency 3162.3 nM None
Oryza sativa Japonica Group Os06g0676700 protein Potency 28183.8 nM None
Plasmodium falciparum Plasmodium falciparum Potency 2.6 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 751.9 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 3162.3 nM None
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 23109.3 nM None
Trypanosoma brucei 6-phospho-1-fructokinase Potency 7568.6 nM None
Trypanosoma brucei brucei Phosphoglycerate kinase, glycosomal Potency 37933.0 nM None
None NON-PROTEIN TARGET Potency 6309.6 nM None
None Unchecked IC50 7700.0 nM 10.1016/j.bmc.2016.09.045
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Ki 0.328 min-1 10.1016/0960-894X(96)00073-X
None Unchecked Potency 3981.1 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 14125.4 nM None
None Unchecked Potency 19911.32 nM None
None Unchecked Potency 20596.2 nM None
None Unchecked Potency 29081.0 nM None
None Unchecked Potency 32642.7 nM None
None Unchecked Potency 39810.7 nM None

Metabolism Information