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chloroxine

AlkaPlorer ID: AK065493

Synonym: None

IUPAC Name: 5,7-dichloroquinolin-8-ol

Structure

SMILES: OC1=C(Cl)C=C(Cl)C2=CC=CN=C12

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InChI: InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

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InChIKey: WDFKMLRRRCGAKS-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 214.051

TPSA？: 33.120000000000005

MolLogP？: 3.2472000000000003

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii MIC 10000.0 nM 10.6019/CHEMBL4513141
Candida albicans Candida albicans IC50 1200.0 nM 10.1021/acs.jmedchem.6b01203
Candida albicans Candida albicans IC50 2700.0 nM 10.1021/acs.jmedchem.6b01203
Candida albicans Candida albicans MIC 1250.0 nM 10.6019/CHEMBL4513141
Clostridium botulinum Botulinum neurotoxin type A IC50 11500.0 nM 10.1021/jm4012164
Cryptococcus neoformans Cryptococcus neoformans MIC 2500.0 nM 10.6019/CHEMBL4513141
Escherichia coli Beta-galactosidase EC50 31500.0 nM None
Escherichia coli Escherichia coli MIC 10000.0 nM 10.6019/CHEMBL4513141
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 3154.8 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 19905.4 nM None
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 7079.5 nM None
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-synuclein Potency 4466.8 nM None
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Arachidonate 12-lipoxygenase IC50 1900.0 nM 10.1021/jm2005089
Homo sapiens Arachidonate 12-lipoxygenase Potency 1000.0 nM None
Homo sapiens Arachidonate 15-lipoxygenase IC50 2400.0 nM 10.1021/jm2005089
Homo sapiens Arachidonate 15-lipoxygenase, type II IC50 28000.0 nM 10.1021/jm2005089
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 25118.9 nM None
Homo sapiens Arachidonate 5-lipoxygenase IC50 3600.0 nM 10.1021/jm2005089
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 2310.0 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 29081.0 nM None
Homo sapiens Cellular tumor antigen p53 Potency 3162.3 nM None
Homo sapiens Cellular tumor antigen p53 Potency 7943.3 nM None
Homo sapiens Cellular tumor antigen p53 Potency 70794.6 nM None
Homo sapiens Cyclooxygenase-1 AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cytochrome P450 3A4 Potency 15848.9 nM None
Homo sapiens Delta opioid receptor EC50 32000.0 nM None
Homo sapiens Delta opioid receptor IC50 32000.0 nM None
Homo sapiens DNA polymerase iota Potency 89125.1 nM None
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Geminin Potency 3662.6 nM None
Homo sapiens Geminin Potency 3758.6 nM None
Homo sapiens Geminin Potency 6683.8 nM None
Homo sapiens Geminin Potency 20596.2 nM None
Homo sapiens Glucagon-like peptide 1 receptor Potency 2238.7 nM None
Homo sapiens Guanine nucleotide-binding protein G(s), subunit alpha Potency 11220.2 nM None
Homo sapiens Heat shock protein HSP90 IC50 50000.0 nM None
Homo sapiens Heat shock protein HSP 90-alpha AC50 1045.0 nM None
Homo sapiens HEK293 CC50 10000.0 nM 10.6019/CHEMBL4513141
Homo sapiens HepG2 Potency 1258.9 nM None
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition 6.37 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 17.76 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 39810.7 nM None
Homo sapiens Huntingtin Potency 2818.4 nM None
Homo sapiens Huntingtin Potency 8912.5 nM None
Homo sapiens HUVEC Activity 95.0 % 10.1016/j.bmc.2023.117289
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 20596.2 nM None
Homo sapiens Kappa opioid receptor IC50 4560.0 nM None
Homo sapiens Kappa opioid receptor IC50 32000.0 nM None
Homo sapiens Liver microsome Drug metabolism 0.112 uM/min.mg 10.1021/jm4012164
Homo sapiens Liver microsome T1/2 0.815 hr 10.1021/jm4012164
Homo sapiens LNCaP CC50 2500.0 nM 10.1021/jm301632e
Homo sapiens Lysine-specific demethylase 4A Potency 28183.8 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 14125.4 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 35481.3 nM None
Homo sapiens Matrix metalloproteinase 13 IC50 19600.0 nM 10.1016/j.bmc.2023.117289
Homo sapiens Matrix metalloproteinase 14 IC50 25600.0 nM 10.1016/j.bmc.2023.117289
Homo sapiens Matrix metalloproteinase 14 Inhibition nan % 10.1016/j.bmc.2023.117289
Homo sapiens Matrix metalloproteinase 14 Kd 2400.0 nM 10.1016/j.bmc.2023.117289
Homo sapiens Matrix metalloproteinase-2 Inhibition nan % 10.1016/j.bmc.2023.117289
Homo sapiens Matrix metalloproteinase 7 Inhibition nan % 10.1016/j.bmc.2023.117289
Homo sapiens Matrix metalloproteinase 9 IC50 15900.0 nM 10.1016/j.bmc.2023.117289
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 28183.8 nM None
Homo sapiens microRNA 21 Potency 23280.9 nM None
Homo sapiens Microtubule-associated protein tau Potency 12589.3 nM None
Homo sapiens Microtubule-associated protein tau Potency 31622.8 nM None
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 3548.1 nM None
Homo sapiens MT4 CC50 nan None 10.1021/jm301632e
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor EC50 32000.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 5191.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Plasma Stability 100.0 % 10.1021/jm4012164
Homo sapiens Plasma T1/2 18.6 hr 10.1021/jm4012164
Homo sapiens Pregnane X receptor Activity nan None 10.1124/dmd.110.035105
Homo sapiens Pregnane X receptor EC50 39800.0 nM 10.1124/dmd.110.035105
Homo sapiens Pregnane X receptor Efficacy 107.9 % 10.1124/dmd.110.035105
Homo sapiens Prelamin-A/C Potency 3981.1 nM None
Homo sapiens Prelamin-A/C Potency 6309.6 nM None
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 31622.8 nM None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 17165.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 43.47 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 62.22 % 10.1124/mol.112.084152
Homo sapiens Survival motor neuron protein Potency 12589.3 nM None
Homo sapiens Survival motor neuron protein Potency 35481.3 nM None
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 446.7 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 2592.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 2909.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 7079.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 8199.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 18356.4 nM None
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vitamin D receptor Potency 44668.4 nM None
Human immunodeficiency virus Human immunodeficiency virus EC50 nan None 10.1021/jm301632e
Human immunodeficiency virus 1 Aberrant vpr protein Potency 4466.8 nM None
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 integrase IC50 20000.0 nM 10.1021/jm301632e
Klebsiella pneumoniae Klebsiella pneumoniae MIC 10000.0 nM 10.6019/CHEMBL4513141
Mus musculus Lanosterol 14-alpha demethylase Inhibition nan % 10.1021/acs.jmedchem.5b01696
Mus musculus Matrix metalloproteinase-2 Inhibition nan % 10.1016/j.bmc.2023.117289
Mus musculus Nuclear receptor ROR-gamma Potency 79.4 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 281.8 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 2238721.1 nM None
Photinus pyralis Luciferin 4-monooxygenase Potency 13459.1 nM None
Plasmodium falciparum Plasmodium falciparum Potency 4256.2 nM None
Plasmodium falciparum Plasmodium falciparum Potency 6573.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 8492.1 nM None
Plasmodium falciparum 3D7 HSP90 AC50 511.0 nM None
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 10000.0 nM 10.6019/CHEMBL4513141
Rattus norvegicus Liver microsome Drug metabolism 0.1 uM/min.mg 10.1021/jm4012164
Rattus norvegicus Liver microsome T1/2 0.9167 hr 10.1021/jm4012164
Rattus norvegicus Nuclear receptor subfamily 1 group I member 2 Activity nan None 10.1124/dmd.110.035105
Rattus norvegicus Peripheral myelin protein 22 Potency 3612.5 nM None
Rattus norvegicus Peripheral myelin protein 22 Potency 28162.5 nM None
Rattus norvegicus Plasma Stability 100.0 % 10.1021/jm4012164
Rattus norvegicus Plasma T1/2 67.7 hr 10.1021/jm4012164
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 56234.1 nM None
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 19952.6 nM None
Saccharomyces cerevisiae S288c Ammonium transporter MEP2 EC50 36100000.0 nM None
Saccharomyces cerevisiae S288c Citrate synthase, peroxisomal EC50 19750000.0 nM None
Schistosoma mansoni Thioredoxin glutathione reductase Potency 15848.9 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab IC50 7240.0 nM 10.1021/acs.jmedchem.2c00303
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 5.21 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 21.65 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Kd 4600.0 nM 10.1021/acs.jmedchem.2c00303
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.15 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.25 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.62 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.2113 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus MIC 10000.0 nM 10.6019/CHEMBL4513141
Streptococcus Streptococcus EC50 3306.0 nM None
Streptococcus pyogenes serotype M1 Streptokinase A EC50 148.0 nM None
Streptococcus sp. 'group A' Streptococcus sp. 'group A' EC50 258.0 nM None
None ADMET Activity nan None 10.1021/acs.jmedchem.5b01696
None NON-PROTEIN TARGET Potency 14950.2 nM None
None NON-PROTEIN TARGET Potency 18821.2 nM None
None NON-PROTEIN TARGET Potency 21117.7 nM None
None No relevant target Solubility 532.0 nM 10.1021/jm4012164
None No relevant target Solubility 326000.0 nM 10.1021/jm4012164
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked AbsAC35_uM 5.58 uM None
None Unchecked Ac50 39.81 uM None
None Unchecked AC50 39810.7 nM None
None Unchecked EC50 12810.0 nM None
None Unchecked IC50 39.34 nM None
None Unchecked IC50 43.81 nM None
None Unchecked IC50 47.46 nM None
None Unchecked IC50 49.33 nM None
None Unchecked IC50 62.74 nM None
None Unchecked IC50 408.61 nM None
None Unchecked IC50 495.2 nM None
None Unchecked IC50 779.0 nM None
None Unchecked IC50 2000.1 nM None
None Unchecked IC50 4300.0 nM 10.1021/jm301632e
None Unchecked IC50 10000.0 nM None
None Unchecked IC50 10500.0 nM None
None Unchecked IC50 17880.0 nM None
None Unchecked IC50 20000.0 nM None
None Unchecked IC50 27930.0 nM None
None Unchecked Inhibition 20.0 % 10.1016/j.ejmech.2021.113975
None Unchecked Inhibition 23.0 % 10.1016/j.ejmech.2021.113975
None Unchecked Inhibition 34.0 % 10.1016/j.ejmech.2021.113975
None Unchecked Inhibition 50.0 % 10.1021/jm301632e
None Unchecked Inhibition 90.0 % 10.1016/j.ejmech.2021.113975
None Unchecked Inhibition 95.0 % 10.1016/j.ejmech.2021.113975
None Unchecked Inhibition 97.0 % 10.1016/j.ejmech.2021.113975
None Unchecked Inhibition 98.0 % 10.1016/j.ejmech.2021.113975
None Unchecked Inhibition 99.0 % 10.1016/j.ejmech.2021.113975
None Unchecked Max_Activity 26.0 uM None
None Unchecked Potency 1778.3 nM None
None Unchecked Potency 6309.6 nM None
None Unchecked Potency 7079.5 nM None
None Unchecked Potency 7943.3 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 12589.3 nM None
None Unchecked Potency 18356.4 nM None
None Unchecked Potency 19952.6 nM None
None Unchecked Potency 20596.2 nM None
None Unchecked Potency 22387.2 nM None
None Unchecked Potency 25118.9 nM None
None Unchecked Potency 35481.3 nM None
None Unchecked Potency 40533.4 nM None

Metabolism Information