Detailed information for compound 1284067

Basic information

Technical information
  • TDR Targets ID: 1284067
  • Name: N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
  • MW: 291.283 | Formula: C12H9N3O4S
  • H donors: 2 H acceptors: 4 LogP: 2.21 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccs1)NNC(=O)c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C12H9N3O4S/c16-11(8-4-1-2-5-9(8)15(18)19)13-14-12(17)10-6-3-7-20-10/h1-7H,(H,13,16)(H,14,17)
  • InChiKey: VXKRSHNDLYNUTD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-[(2-nitrophenyl)-oxomethyl]-2-thiophenecarbohydrazide
  • N'-(2-nitrophenyl)carbonylthiophene-2-carbohydrazide
  • ZINC00368936
  • MLS000709353
  • SMR000290020
  • BAS 00475364
  • 2-Nitro-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) glutathione reductase 0.0126 0.5352 0.5347
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0011 1
Loa Loa (eye worm) hypothetical protein 0.018 0.8933 0.8932
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0011 0.002
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1947 0.3637
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0126 0.5352 1
Toxoplasma gondii thioredoxin reductase 0.0126 0.5352 1
Trypanosoma brucei trypanothione reductase 0.0126 0.5352 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0043 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0011 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0011 0.002
Echinococcus multilocularis muscleblind protein 0.018 0.8933 0.8933
Trypanosoma brucei glucosidase, putative 0.0044 0.0011 0.002
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0011 0.0011
Loa Loa (eye worm) thioredoxin reductase 0.0126 0.5352 0.5347
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0011 0.002
Treponema pallidum NADH oxidase 0.0043 0 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.8212 1
Plasmodium vivax glutathione reductase, putative 0.0126 0.5352 1
Brugia malayi Thioredoxin reductase 0.0126 0.5352 0.5352
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0126 0.5352 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1947 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1947 0.3637
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0011 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0043 0 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0011 0.002
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1947 1
Plasmodium vivax thioredoxin reductase, putative 0.0126 0.5352 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0011 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0126 0.5352 0.5352
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0011 0.5
Leishmania major trypanothione reductase 0.0126 0.5352 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0011 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1947 0.3637
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0043 0 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0011 1
Brugia malayi Muscleblind-like protein 0.018 0.8933 0.8933
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1947 0.237
Plasmodium falciparum thioredoxin reductase 0.0126 0.5352 1
Schistosoma mansoni alpha glucosidase 0.0044 0.0011 0.0013
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0011 0.0011
Echinococcus granulosus thioredoxin glutathione reductase 0.0126 0.5352 0.5352
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0011 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0011 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1947 0.1947
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1947 0.237
Echinococcus multilocularis muscleblind protein 1 0.018 0.8933 0.8933
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0043 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0011 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.8212 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Onchocerca volvulus 0.0114 0.4587 0.5
Echinococcus granulosus muscleblind protein 0.018 0.8933 0.8933
Plasmodium falciparum glutathione reductase 0.0126 0.5352 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0011 0.0011
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0043 0 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.8933 0.8932
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1947 0.1947
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0011 1
Brugia malayi glutathione reductase 0.0126 0.5352 0.5352
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1947 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 7.3753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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