2-chloro-5-nitro-N-phenylbenzamide
AlkaPlorer ID: AK323318
Synonym: None
IUPAC Name: 2-chloro-5-nitro-N-phenylbenzamide
Structure
SMILES: O=C(NC1=CC=CC=C1)C1=CC([N+](=O)[O-])=CC=C1Cl
InChI: InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)
InChIKey: DNTSIBUQMRRYIU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 276.679
TPSA？: 72.24
MolLogP？: 3.500500000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus ficuum | Aspergillus ficuum | -log(1/MIC) | 1.55 | None | 10.1016/j.bmc.2007.03.074 |
| Aspergillus parasiticus | Aspergillus parasiticus | -log(1/MIC) | 1.42 | None | 10.1016/j.bmc.2007.03.074 |
| Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | Potency | 79432.8 | nM | None |
| Bacillus subtilis | Bacillus subtilis | -log(1/MIC) | 1.15 | None | 10.1016/j.bmc.2007.03.074 |
| Equus caballus | Ferritin light chain | Potency | 31622.8 | nM | None |
| Escherichia coli | Escherichia coli | -log(1/MIC) | 1.2 | None | 10.1016/j.bmc.2007.03.074 |
| Homo sapiens | 78 kDa glucose-regulated protein | Potency | 116.7 | nM | None |
| Homo sapiens | Androgen Receptor | Potency | 50118.7 | nM | None |
| Homo sapiens | Aryl hydrocarbon receptor | Potency | 14125.4 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 18348.9 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 20587.8 | nM | None |
| Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 89125.1 | nM | None |
| Homo sapiens | Cellular tumor antigen p53 | Potency | 15848.9 | nM | None |
| Homo sapiens | Cerebroside-sulfatase | Potency | 21331.3 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 28183.8 | nM | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | 630.96 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | 794.33 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | Potency | 794.3 | nM | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | 6309.57 | nM | None |
| Homo sapiens | Cytochrome P450 2C9 | Potency | 6309.6 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | 10000.0 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 10000.0 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | 25118.86 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | Potency | 25118.9 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 14125.4 | nM | None |
| Homo sapiens | Eyes absent homolog 2 | Potency | 35481.3 | nM | None |
| Homo sapiens | Flap endonuclease 1 | Potency | 2667.9 | nM | None |
| Homo sapiens | Geminin | Potency | 20596.2 | nM | None |
| Homo sapiens | H4 | Activity | 29.9 | % | 10.1073/pnas.0709695104 |
| Homo sapiens | H4 | Activity | 40.32 | % | 10.1073/pnas.0709695104 |
| Homo sapiens | H4 | Activity | 44.5 | % | 10.1073/pnas.0709695104 |
| Homo sapiens | H4 | Activity | 87.58 | % | 10.1073/pnas.0709695104 |
| Homo sapiens | H4 | Activity | 89.29 | % | 10.1073/pnas.0709695104 |
| Homo sapiens | H4 | Activity | 93.22 | % | 10.1073/pnas.0709695104 |
| Homo sapiens | H4 | Activity | 105.38 | % | 10.1073/pnas.0709695104 |
| Homo sapiens | H4 | Activity | 106.33 | % | 10.1073/pnas.0709695104 |
| Homo sapiens | H4 | Activity | 128.11 | % | 10.1073/pnas.0709695104 |
| Homo sapiens | H4 | Activity | 137.98 | % | 10.1073/pnas.0709695104 |
| Homo sapiens | H4 | Activity | 166.91 | % | 10.1073/pnas.0709695104 |
| Homo sapiens | HEK293 | Potency | 1000.0 | nM | None |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -6.48 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -4.52 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 398.1 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 21192.3 | nM | None |
| Homo sapiens | MAP kinase ERK2 | Potency | 25118.9 | nM | None |
| Homo sapiens | MDA-MB-231 | Activity | nan | None | 10.1021/acs.jnatprod.0c00642 |
| Homo sapiens | MDA-MB-453 | Activity | nan | None | 10.1021/acs.jnatprod.0c00642 |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 39810.7 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 39810.7 | nM | None |
| Homo sapiens | M-phase phosphoprotein 8 | Potency | 891.3 | nM | None |
| Homo sapiens | Muscleblind-like protein 1 | Potency | 8912.5 | nM | None |
| Homo sapiens | Muscleblind-like protein 1 | Potency | 11220.2 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 1219.7 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 1258.9 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 1458.1 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 3063.8 | nM | None |
| Homo sapiens | Nuclear factor NF-kappa-B p105 subunit | Potency | 112.2 | nM | None |
| Homo sapiens | Nuclear receptor ROR-gamma | Activity | 100.0 | % | 10.1021/acsmedchemlett.1c00029 |
| Homo sapiens | Nuclear receptor ROR-gamma | IC50 | 86.0 | nM | 10.1021/acsmedchemlett.1c00029 |
| Homo sapiens | Peripheral myelin protein 22 | Potency | 19011.5 | nM | None |
| Homo sapiens | Peroxisome proliferator-activated receptor gamma | Activity | nan | None | 10.1016/j.bmc.2022.117130 |
| Homo sapiens | Peroxisome proliferator-activated receptor gamma | Activity | nan | None | 10.1016/j.bmcl.2022.128676 |
| Homo sapiens | Peroxisome proliferator-activated receptor gamma | EC50 | 2.0 | nM | 10.1021/acs.jmedchem.9b00187 |
| Homo sapiens | Peroxisome proliferator-activated receptor gamma | IC50 | 3300.0 | nM | 10.1016/j.ejmech.2008.01.032 |
| Homo sapiens | Peroxisome proliferator-activated receptor gamma | Inhibition | 10.9 | % | 10.1016/j.bmcl.2022.129081 |
| Homo sapiens | Peroxisome proliferator-activated receptor gamma | Inhibition | 99.1 | % | 10.1016/j.bmcl.2022.129081 |
| Homo sapiens | Peroxisome proliferator-activated receptor gamma | Tm | 3.9 | degrees C | 10.1016/j.bmc.2022.116877 |
| Homo sapiens | Prelamin-A/C | Potency | 11220.2 | nM | None |
| Homo sapiens | Pyruvate kinase isozymes M1/M2 | Potency | 39810.7 | nM | None |
| Homo sapiens | Retinoid X receptor alpha | Potency | 8912.5 | nM | None |
| Homo sapiens | Serine/threonine-protein kinase mTOR | Potency | 14689.2 | nM | None |
| Homo sapiens | Survival motor neuron protein | Potency | 12589.3 | nM | None |
| Homo sapiens | Thrombopoietin | Potency | 1584.9 | nM | None |
| Homo sapiens | Thyroid stimulating hormone receptor | Potency | 5011.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 18356.4 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 28183.8 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 29092.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 29855.4 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 31622.8 | nM | None |
| Leishmania mexicana | Pyruvate kinase | Potency | 12589.3 | nM | None |
| Mus musculus | HT-22 | Activity | nan | None | 10.1016/j.bmcl.2010.09.134 |
| Mus musculus | RAW264.7 | Activity | 99.1 | % | 10.1016/j.ejmech.2017.11.085 |
| Mus musculus | RAW264.7 | Activity | 101.0 | % | 10.1016/j.ejmech.2013.10.074 |
| Photinus pyralis | Luciferin 4-monooxygenase | Potency | 31622.8 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 7943.28 | nM | 10.1038/nchembio.215 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 10000.0 | nM | 10.1038/nchembio.215 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 12589.25 | nM | 10.1038/nchembio.215 |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 1471.6 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 2332.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 7375.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 8275.3 | nM | None |
| Rattus norvegicus | Muscarinic acetylcholine receptor M1 | Potency | 79.4 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 1584.9 | nM | None |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Potency | 23109.3 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 3.032 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -0.09 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 8.44 | % | 10.21203/rs.3.rs-23951/v1 |
| Staphylococcus aureus | Staphylococcus aureus | -log(1/MIC) | 1.35 | None | 10.1016/j.bmc.2007.03.074 |
| None | Molecular identity unknown | Potency | 70794.6 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 8912.5 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 10000.0 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 11220.2 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 12589.3 | nM | None |
| None | Unchecked | Activity | nan | None | 10.1021/acsmedchemlett.1c00029 |
| None | Unchecked | Inhibition | nan | % | 10.1038/nchembio873 |
| None | Unchecked | Potency | 112.2 | nM | None |
| None | Unchecked | Potency | 281.8 | nM | None |
| None | Unchecked | Potency | 1000.0 | nM | None |
| None | Unchecked | Potency | 3264.3 | nM | None |
| None | Unchecked | Potency | 7079.5 | nM | None |
| None | Unchecked | Potency | 15848.9 | nM | None |
| None | Unchecked | Potency | 19952.6 | nM | None |
| None | Unchecked | Potency | 22387.2 | nM | None |
| None | Unchecked | Potency | 31622.8 | nM | None |
| None | Unchecked | Potency | 35481.3 | nM | None |