Detailed information for compound 350899

Basic information

Technical information
  • TDR Targets ID: 350899
  • Name: 4-hydroxy-3-nitrobenzaldehyde
  • MW: 167.119 | Formula: C7H5NO4
  • H donors: 1 H acceptors: 4 LogP: 1.41 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1ccc(c(c1)[N+](=O)[O-])O
  • InChi: 1S/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H
  • InChiKey: YTHJCZRFJGXPTL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-hydroxy-3-nitro-benzaldehyde
  • 3011-34-5
  • 4-FORMYL-2-NITROPHENOL
  • EINECS 221-141-6
  • NSC 138267
  • SBB008631
  • benzaldehyde, 4-hydroxy-3-nitro-
  • NSC138267
  • 144320_ALDRICH
  • InChI=1/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 4-aminobutyrate aminotransferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor Get druggable targets OG5_129508 All targets in OG5_129508
Mycobacterium ulcerans L-lysine aminotransferase Get druggable targets OG5_129508 All targets in OG5_129508
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) Get druggable targets OG5_129508 All targets in OG5_129508
Candida albicans one of two potential aminotransferase genes Get druggable targets OG5_129508 All targets in OG5_129508
Candida albicans one of two potential aminotransferase genes Get druggable targets OG5_129508 All targets in OG5_129508
Candida albicans one of two potential aminotransferase genes similar to S. cerevisiae UGA1 (YGR019W) gamma-aminobutyrate (GABA) transaminase Get druggable targets OG5_129508 All targets in OG5_129508
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0109 0.3353 0.6152
Brugia malayi Trypsin family protein 0.0087 0.2594 0.2594
Brugia malayi RNA binding protein 0.0062 0.1687 0.1687
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0.0381 0.5
Brugia malayi hypothetical protein 0.0087 0.2594 0.2594
Loa Loa (eye worm) hypothetical protein 0.0087 0.2594 0.2904
Echinococcus granulosus enteropeptidase 0.0087 0.2594 0.4759
Schistosoma mansoni cercarial elastase (S01 family) 0.0087 0.2594 0.4759
Schistosoma mansoni cercarial elastase (S01 family) 0.0087 0.2594 0.4759
Loa Loa (eye worm) hypothetical protein 0.002 0.0166 0.0185
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0087 0.2594 0.4759
Schistosoma mansoni hypothetical protein 0.0034 0.0648 0.119
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0094 0.2834 0.5199
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1687 0.3094
Brugia malayi Trypsin-like protease protein 5 0.0087 0.2594 0.2594
Echinococcus multilocularis Mastin 0.0087 0.2594 0.4759
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0886 0.1625
Loa Loa (eye worm) hypothetical protein 0.0057 0.1488 0.1666
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0381 0.0699
Loa Loa (eye worm) hypothetical protein 0.0027 0.0411 0.046
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.3674 0.4113
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0334 1
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0166 0.2611
Echinococcus granulosus transmembrane protease serine 3 0.0087 0.2594 0.4759
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0411 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0334 0.5259
Schistosoma mansoni cercarial elastase (S01 family) 0.0087 0.2594 0.4759
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0411 0.025
Onchocerca volvulus 0.0237 0.7977 1
Loa Loa (eye worm) trypsin family protein 0.0087 0.2594 0.2904
Loa Loa (eye worm) hypothetical protein 0.0034 0.0648 0.0726
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0026 0.0381 0.0381
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0886 0.1625
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1687 0.3094
Onchocerca volvulus 0.0087 0.2594 0.2885
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0026 0.0381 0.0381
Onchocerca volvulus 0.0087 0.2594 0.2885
Loa Loa (eye worm) pax transcription factor protein 2 0.0237 0.7977 0.893
Plasmodium falciparum ornithine aminotransferase 0.0026 0.0381 0.6
Schistosoma mansoni cercarial elastase (S01 family) 0.0087 0.2594 0.4759
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0026 0.0381 0.0381
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0635 1
Brugia malayi hypothetical protein 0.0035 0.0716 0.0716
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0026 0.0381 0.5
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0094 0.2834 0.5199
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0087 0.2594 0.2594
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0.0381 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0411 0.025
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1208 0.1208
Schistosoma mansoni hypothetical protein 0.0087 0.2594 0.4759
Schistosoma mansoni cercarial elastase (S01 family) 0.0087 0.2594 0.4759
Loa Loa (eye worm) hypothetical protein 0.002 0.0166 0.0185
Onchocerca volvulus 0.0087 0.2594 0.2885
Brugia malayi TAR-binding protein 0.0062 0.1687 0.1687
Loa Loa (eye worm) hypothetical protein 0.0025 0.0334 0.0374
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0334 0.5259
Loa Loa (eye worm) hypothetical protein 0.002 0.0166 0.0185
Brugia malayi MH2 domain containing protein 0.0117 0.3674 0.3674
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0087 0.2594 0.4759
Schistosoma mansoni cercarial elastase (S01 family) 0.0087 0.2594 0.4759
Giardia lamblia PHD finger protein 15 0.0033 0.0635 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0411 0.025
Loa Loa (eye worm) hypothetical protein 0.0033 0.0635 0.071
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.1907 0.2135
Brugia malayi Bromodomain containing protein 0.0033 0.0635 0.0635
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0126 0.0126
Echinococcus granulosus glycoprotein Antigen 5 0.0087 0.2594 0.4759
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0094 0.2834 0.5199
Brugia malayi hypothetical protein 0.0025 0.0334 0.0334
Schistosoma mansoni hypothetical protein 0.0094 0.2834 0.5199
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0334 1
Echinococcus granulosus Aminotransferase class III 0.0026 0.0381 0.0699
Brugia malayi Trypsin family protein 0.0087 0.2594 0.2594
Loa Loa (eye worm) hypothetical protein 0.0087 0.2594 0.2904
Schistosoma mansoni cercarial elastase (S01 family) 0.0087 0.2594 0.4759
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0087 0.2594 0.4759
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0411 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0334 0.5259
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0411 1
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0026 0.0381 0.0381
Brugia malayi follicle stimulating hormone receptor 0.0263 0.8933 0.8933
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0411 0.0411
Echinococcus multilocularis glycoprotein Antigen 5 0.0087 0.2594 0.4759
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0094 0.2834 0.5199
Schistosoma mansoni hypothetical protein 0.0167 0.545 1
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0381 0.0699
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1687 0.3094
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0334 1
Echinococcus granulosus ornithine aminotransferase 0.0026 0.0381 0.0699
Echinococcus multilocularis transmembrane protease serine 3 0.0087 0.2594 0.4759
Echinococcus granulosus jumonji domain containing protein 0.0046 0.1103 0.2023
Schistosoma mansoni hypothetical protein 0.0035 0.0716 0.1313
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0411 0.025
Schistosoma mansoni cercarial elastase (S01 family) 0.0087 0.2594 0.4759
Mycobacterium ulcerans L-lysine aminotransferase 0.0293 1 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.0381 0.0699
Mycobacterium ulcerans hypothetical protein 0.0027 0.0411 0.025
Brugia malayi hypothetical protein 0.0016 0.0017 0.0017
Echinococcus granulosus Mastin 0.0087 0.2594 0.4759
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0087 0.2594 0.4759
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.0635 0.1164
Loa Loa (eye worm) apoptosis regulator protein 0.0094 0.2834 0.3172
Loa Loa (eye worm) RNA binding protein 0.0062 0.1687 0.1888
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0087 0.2594 0.4759
Brugia malayi PHD-finger family protein 0.0033 0.0635 0.0635
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0126 0.0126
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1687 0.1888
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0411 0.0411
Schistosoma mansoni hypothetical protein 0.0087 0.2594 0.4759
Onchocerca volvulus 0.0087 0.2594 0.2885
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0411 0.025
Leishmania major hypothetical protein, conserved 0.0025 0.0334 0.8113
Onchocerca volvulus Alhambra homolog 0.0033 0.0635 0.0295
Onchocerca volvulus 0.0087 0.2594 0.2885
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.0886 0.0992
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0716 0.1313
Echinococcus granulosus peregrin 0.0033 0.0635 0.1164
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0094 0.2834 0.2834
Schistosoma mansoni cercarial elastase (S01 family) 0.0087 0.2594 0.4759
Onchocerca volvulus 0.0087 0.2594 0.2885
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1687 0.3094
Loa Loa (eye worm) hypothetical protein 0.002 0.0166 0.0185
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.0381 0.0219
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0087 0.2594 0.4759
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.1103 0.2023
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0716 0.1313
Schistosoma mansoni cercarial elastase (S01 family) 0.0087 0.2594 0.4759
Loa Loa (eye worm) hypothetical protein 0.0094 0.2834 0.3172
Schistosoma mansoni apoptosis regulator bax 0.0094 0.2834 0.5199
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0411 0.025
Brugia malayi jmjC domain containing protein 0.0109 0.3353 0.3353
Brugia malayi Trypsin family protein 0.0087 0.2594 0.2594
Loa Loa (eye worm) hypothetical protein 0.002 0.0166 0.0185
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0087 0.2594 0.4759
Loa Loa (eye worm) hypothetical protein 0.0087 0.2594 0.2904
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.0381 0.6
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0094 0.2834 0.5199
Mycobacterium ulcerans hypothetical protein 0.0026 0.0381 0.0219
Echinococcus granulosus tar DNA binding protein 0.0062 0.1687 0.3094
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0411 0.0411
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0411 0.025
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0293 1 1
Mycobacterium ulcerans hypothetical protein 0.0087 0.2594 0.2469
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1208 0.1208
Schistosoma mansoni jumonji domain containing protein 0.0086 0.2549 0.4677
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0334 0.5259
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0263 0.8933 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1687 0.3094
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0087 0.2594 0.4759
Entamoeba histolytica hypothetical protein 0.0035 0.0716 1
Brugia malayi Pax transcription factor protein 2 0.0237 0.7977 0.7977
Echinococcus multilocularis enteropeptidase 0.0087 0.2594 0.4759
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0166 0.2611
Loa Loa (eye worm) hypothetical protein 0.0027 0.0411 0.046
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0716 0.1313
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.0886 0.1625
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.0635 0.1164
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0087 0.2594 0.4759
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0635 1
Schistosoma mansoni hypothetical protein 0.0033 0.0635 0.1164
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0411 0.0411
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0648 0.0648
Loa Loa (eye worm) hypothetical protein 0.0087 0.2594 0.2904
Entamoeba histolytica hypothetical protein 0.0035 0.0716 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0109 0.3353 0.6152
Schistosoma mansoni hypothetical protein 0.0094 0.2834 0.5199
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0166 0.0166
Schistosoma mansoni cercarial elastase (S01 family) 0.0087 0.2594 0.4759
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0411 1
Mycobacterium tuberculosis Probable aminotransferase 0.0026 0.0381 0.0381
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.0635 0.071
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0087 0.2594 0.4759
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.0635 0.1164
Loa Loa (eye worm) hypothetical protein 0.0027 0.0411 0.046
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0026 0.0381 0.6
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1687 0.3094
Loa Loa (eye worm) hypothetical protein 0.0049 0.1208 0.1352
Brugia malayi Trypsin family protein 0.0087 0.2594 0.2594
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1687 0.1888
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.0886 0.1625
Echinococcus multilocularis peregrin 0.0033 0.0635 0.1164
Schistosoma mansoni hypothetical protein 0.0167 0.545 1
Mycobacterium ulcerans acetylornithine aminotransferase 0.0026 0.0381 0.0219
Plasmodium falciparum phd finger protein, putative 0.0033 0.0635 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1208 0.1352
Echinococcus multilocularis Aminotransferase class III 0.0026 0.0381 0.0699
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0635 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0087 0.2594 0.4759
Loa Loa (eye worm) hypothetical protein 0.0087 0.2594 0.2904
Loa Loa (eye worm) hypothetical protein 0.0087 0.2594 0.2904
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0411 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0026 0.0381 0.0219
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.0381 0.0219
Echinococcus multilocularis geminin 0.0167 0.545 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0126 0.0126
Entamoeba histolytica hypothetical protein 0.0035 0.0716 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.2594 0.2904
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0026 0.0381 0.0219
Entamoeba histolytica hypothetical protein 0.0035 0.0716 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0411 0.0411
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1687 0.1687
Echinococcus granulosus geminin 0.0167 0.545 1
Schistosoma mansoni hypothetical protein 0.0094 0.2834 0.5199
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.3674 0.4113
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0087 0.2594 0.4759
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0126 0.0126
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0026 0.0381 0.0219
Brugia malayi jmjC domain containing protein 0.004 0.0886 0.0886

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15.5 uM Inhibitory activity against GABAT ChEMBL. 16290145
IC50 (binding) = 15.5 uM Inhibitory activity against GABAT ChEMBL. 16290145
IC50 (binding) = 33.1 uM Inhibitory activity against SSADH ChEMBL. 16290145
IC50 (binding) = 33.1 uM Inhibitory activity against SSADH ChEMBL. 16290145

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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