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Fusaric Acid

AlkaPlorer ID: AK027052

Synonym: None

IUPAC Name: 5-butylpyridine-2-carboxylic acid

Structure

SMILES: CCCCC1=CC=C(C(=O)O)N=C1

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InChI: InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)

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InChIKey: DGMPVYSXXIOGJY-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 179.219

TPSA？: 50.19

MolLogP？: 2.1224

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii MIC 20000.0 nM 10.6019/CHEMBL4513161
Agaricus bisporus Tyrosinase Inhibition 75.0 % 10.1021/jm101266s
Bacillus anthracis Anthrax lethal factor Inhibition 29.0 % 10.1021/jm101266s
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 28183.8 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 39810.7 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 44668.4 nM None
Bos taurus Dopamine beta-hydroxylase IC50 50.0 nM 10.1016/j.bmc.2020.115820
Bos taurus Dopamine beta-hydroxylase Inhibition 20.0 % 10.1016/j.bmc.2020.115820
Bos taurus Dopamine beta-hydroxylase Inhibition 58.0 % 10.1016/j.bmc.2020.115820
Bos taurus Dopamine beta-hydroxylase Inhibition 89.0 % 10.1016/j.bmc.2020.115820
Bos taurus Dopamine beta-hydroxylase Inhibition 92.0 % 10.1016/j.bmc.2020.115820
Bos taurus Dopamine beta-hydroxylase Ki 149.0 nM 10.1021/jm00156a002
Bos taurus Dopamine beta-hydroxylase Ki 149.0 nM 10.1021/jm00162a008
Candida albicans Candida albicans MIC 20000.0 nM 10.6019/CHEMBL4513161
Canis lupus familiaris Canis familiaris Activity -50.0 mmHg 10.1021/jm00210a018
Canis lupus familiaris Canis familiaris Activity -45.0 mmHg 10.1021/jm00210a018
Canis lupus familiaris Canis familiaris Activity -30.0 mmHg 10.1021/jm00210a018
Canis lupus familiaris Canis familiaris Activity 32.0 bpm 10.1021/jm00210a018
Canis lupus familiaris Canis familiaris Activity 33.0 bpm 10.1021/jm00210a018
Canis lupus familiaris Canis familiaris Activity 35.0 bpm 10.1021/jm00210a018
Canis lupus familiaris Canis familiaris Activity nan None 10.1021/jm00210a018
Canis lupus familiaris Canis familiaris HR 32.0 None 10.1021/jm00186a022
Canis lupus familiaris Canis familiaris HR 33.0 None 10.1021/jm00186a022
Canis lupus familiaris Canis familiaris HR 35.0 None 10.1021/jm00186a022
Canis lupus familiaris Canis familiaris MBP -50.0 None 10.1021/jm00186a022
Canis lupus familiaris Canis familiaris MBP -45.0 None 10.1021/jm00186a022
Canis lupus familiaris Canis familiaris MBP -30.0 None 10.1021/jm00186a022
Cryptococcus neoformans Cryptococcus neoformans MIC 20000.0 nM 10.6019/CHEMBL4513161
Escherichia coli Escherichia coli GI nan None 10.1016/j.ejmech.2016.11.044
Escherichia coli Escherichia coli MIC 20000.0 nM 10.6019/CHEMBL4513161
Escherichia coli K-12 Beta-lactamase AmpC Potency 10000.0 nM None
Escherichia coli K-12 Endonuclease 4 Potency 10000.0 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 8891.4 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 9976.3 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 15811.4 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 501.2 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 3548.1 nM None
Homo sapiens Arachidonate 15-lipoxygenase Potency 6309.6 nM None
Homo sapiens Arachidonate 15-lipoxygenase Potency 15848.9 nM None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 19952.6 nM None
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 23.0 % 10.1021/jm101266s
Homo sapiens Bloom syndrome protein Potency 3.2 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 3981.1 nM None
Homo sapiens Cytochrome P450 1A2 AC50 31622.78 nM None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 25118.86 nM None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 Potency 25118.9 nM None
Homo sapiens Geminin Potency 2818.4 nM None
Homo sapiens Geminin Potency 33498.3 nM None
Homo sapiens HEK293 CC50 20000.0 nM 10.6019/CHEMBL4513161
Homo sapiens HERG Potency 5623.4 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 22.4 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 1122.0 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 5972.8 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 2511.9 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 15848.9 nM None
Homo sapiens Hypoxia-inducible factor prolyl 4-hydroxylase IC50 149000.0 nM 10.1021/jm00083a002
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 18356.4 nM None
Homo sapiens Kelch-like ECH-associated protein 1 Max_Activity_Concent 0.38 uM None
Homo sapiens Lethal(3)malignant brain tumor-like protein 1 Potency 8912.5 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 3981.1 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 10000.0 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 44668.4 nM None
Homo sapiens Matrix metalloproteinase-1 Inhibition 58.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase-2 Inhibition 43.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase 3 Inhibition 80.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase 8 Inhibition 47.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase 9 Inhibition 18.0 % 10.1021/jm101266s
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 39810.7 nM None
Homo sapiens Microtubule-associated protein tau Potency 7943.3 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 20596.2 nM None
Homo sapiens Nuclear factor NF-kappa-B p105 subunit Potency 3162.3 nM None
Homo sapiens Peripheral myelin protein 22 Potency 60119.8 nM None
Homo sapiens Prelamin-A/C Potency 7079.5 nM None
Homo sapiens Pyruvate kinase isozymes M1/M2 Potency 251.2 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 6309.6 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 35481.3 nM None
Homo sapiens Thrombopoietin Potency 1995.3 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 25118.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 8912.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 17782.8 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 33498.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 44668.4 nM None
Influenza A virus Nonstructural protein 1 Potency 22387.2 nM None
Klebsiella pneumoniae Klebsiella pneumoniae MIC 20000.0 nM 10.6019/CHEMBL4513161
Mus musculus Nitric oxide synthase, inducible Inhibition 10.0 % 10.1021/jm101266s
Mus musculus Nuclear receptor ROR-gamma Potency 7079.5 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 7943.3 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 8912.5 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 17782.8 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 25118.9 nM None
Pasteurella multocida Pasteurella multocida MIC 50.0 ug.mL-1 10.1128/aac.00245-08
Pasteurella multocida Pasteurella multocida MIC 100.0 ug.mL-1 10.1128/aac.00245-08
Pasteurella multocida Pasteurella multocida Ratio 2.0 None 10.1128/aac.00245-08
Plasmodium falciparum Plasmodium falciparum Potency 4775.5 nM None
Plasmodium falciparum Plasmodium falciparum Potency 5221.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 18526.0 nM None
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 20000.0 nM 10.6019/CHEMBL4513161
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) Regulatory protein RhlR Inhibition nan % 10.1016/j.ejmech.2016.11.044
Rattus norvegicus Dopamine beta-hydroxylase IC50 700.0 nM 10.1021/jm00391a008
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 141.3 nM None
Rattus norvegicus Rattus norvegicus Activity 60.0 mmHg 10.1021/jm00210a018
Rattus norvegicus Rattus norvegicus BP 60.0 mmHg 10.1021/jm00186a022
Rattus norvegicus Rattus norvegicus Decrease in blood pressure 54.0 mmHg 10.1021/jm00391a008
Rattus norvegicus Rattus norvegicus Increase 80.0 % 10.1021/jm00391a008
Rattus norvegicus Rattus norvegicus Level 0.702 ug of tissue 10.1021/jm00156a002
Rattus norvegicus Rattus norvegicus Level 6.55 ug of tissue 10.1021/jm00156a002
Saimiri sciureus Squirrel monkey Activity -53.0 mmHg 10.1021/jm00210a018
Saimiri sciureus Squirrel monkey Activity -28.0 mmHg 10.1021/jm00210a018
Saimiri sciureus Squirrel monkey Activity -20.0 bpm 10.1021/jm00210a018
Saimiri sciureus Squirrel monkey Activity 10.0 bpm 10.1021/jm00210a018
Saimiri sciureus Squirrel monkey Activity nan None 10.1021/jm00210a018
Solanum lycopersicum Solanum lycopersicum Activity nan None 10.1021/np000023r
Staphylococcus aureus Staphylococcus aureus MIC 20000.0 nM 10.6019/CHEMBL4513161
Trypanosoma brucei 6-phospho-1-fructokinase Potency 28183.8 nM None
None Erythrocyte HC10 20.0 uM 10.6019/CHEMBL4513161
None NON-PROTEIN TARGET Potency 8912.5 nM None
None NON-PROTEIN TARGET Potency 11220.2 nM None
None NON-PROTEIN TARGET Potency 14125.4 nM None
None Unchecked IC50 0.1 ug/g 10.1016/j.bmc.2020.115820
None Unchecked IC50 0.4 ug/g 10.1016/j.bmc.2020.115820
None Unchecked IC50 nan None 10.1016/j.ejmech.2016.11.044
None Unchecked Inhibition 25.0 % 10.1016/j.bmc.2020.115820
None Unchecked Inhibition nan % 10.1016/j.ejmech.2016.11.044
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Ratio 0.109 None 10.1021/jm00156a002

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT009515 CCCCc1ccc(C(=O)O)nc1>>C=CCCc1ccc(C(=O)O)nc1 RXN-16720
AKRT009516 CCCCc1ccc(C(=O)O)nc1>>C[C@H](O)CCc1ccc(C(=O)O)nc1 RXN-16719