Detailed information for compound 1476844

Basic information

Technical information
  • TDR Targets ID: 1476844
  • Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]acetohy drazide
  • MW: 265.16 | Formula: C9H10Cl2N2OS
  • H donors: 2 H acceptors: 1 LogP: 2.22 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)CSCc1ccc(cc1Cl)Cl
  • InChi: 1S/C9H10Cl2N2OS/c10-7-2-1-6(8(11)3-7)4-15-5-9(14)13-12/h1-3H,4-5,12H2,(H,13,14)
  • InChiKey: DJPHAVXHYJUQKF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(2,4-dichlorophenyl)methylthio]acetohydrazide
  • 2-[(2,4-dichlorobenzyl)thio]acetohydrazide
  • 2-[(2,4-dichlorophenyl)methylsulfanyl]ethanehydrazide
  • 7H-483S
  • ZINC01397006
  • 2-[(2,4-dichlorobenzyl)sulfanyl]acetohydrazide
  • MLS000763577
  • SMR000337163

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Retinal dehydrogenase 1, putative 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 japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative 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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor 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 aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis Probable 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
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor 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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni malate dehydrogenase 0.073 1 1
Loa Loa (eye worm) malate dehydrogenase 0.0284 0.2459 0.1879
Mycobacterium ulcerans malate dehydrogenase 0.0284 0.2459 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0284 0.2459 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0284 0.2459 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0284 0.2459 1
Trypanosoma brucei cytosolic malate dehydrogenase 0.0284 0.2459 0.5
Echinococcus granulosus malate dehydrogenase 0.0284 0.2459 0.1879
Echinococcus multilocularis lactate dehydrogenase a 0.073 1 1
Leishmania major malate dehydrogenase, putative 0.073 1 1
Echinococcus granulosus malate dehydrogenase 0.0284 0.2459 0.1879
Echinococcus multilocularis L lactate dehydrogenase B chain 0.073 1 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0284 0.2459 0.5
Echinococcus multilocularis lactate dehydrogenase a 0.073 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0284 0.2459 1
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0284 0.2459 0.5
Schistosoma mansoni L-lactate dehydrogenase 0.073 1 1
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0284 0.2459 0.5
Echinococcus multilocularis L lactate dehydrogenase 0.0446 0.5205 0.4836
Trichomonas vaginalis malate dehydrogenase, putative 0.0284 0.2459 1
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.073 1 0.5
Trypanosoma brucei malate dehydrogenase-related 0.0284 0.2459 0.5
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0284 0.2459 0.5
Plasmodium falciparum L-lactate dehydrogenase 0.073 1 1
Echinococcus granulosus L lactate dehydrogenase B chain 0.073 1 1
Echinococcus multilocularis lactate dehydrogenase protein 0.073 1 1
Trypanosoma brucei glycosomal malate dehydrogenase 0.0284 0.2459 0.5
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0284 0.2459 0.1879
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0284 0.2459 0.5
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0284 0.2459 0.5
Plasmodium vivax lactate dehydrogenase 0.073 1 1
Entamoeba histolytica malate dehydrogenase, putative 0.073 1 1
Echinococcus granulosus L lactate dehydrogenase 0.0446 0.5205 0.4836
Toxoplasma gondii malate dehydrogenase MDH 0.073 1 0.5
Echinococcus multilocularis malate dehydrogenase 0.0284 0.2459 0.1879
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0284 0.2459 0.5
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0284 0.2459 0.1879
Echinococcus multilocularis lactate dehydrogenase a 0.073 1 1
Giardia lamblia Malate dehydrogenase 0.0284 0.2459 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0284 0.2459 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0284 0.2459 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0284 0.2459 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0284 0.2459 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0284 0.2459 0.5
Echinococcus granulosus lactate dehydrogenase protein 0.073 1 1
Plasmodium vivax malate dehydrogenase, putative 0.073 1 1
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0284 0.2459 0.1879
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0284 0.2459 1
Loa Loa (eye worm) hypothetical protein 0.073 1 1
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0284 0.2459 0.1879
Trichomonas vaginalis malate dehydrogenase, putative 0.0284 0.2459 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0284 0.2459 0.1879
Trichomonas vaginalis malate dehydrogenase, putative 0.0284 0.2459 1
Loa Loa (eye worm) malate dehydrogenase 0.0284 0.2459 0.1879
Trichomonas vaginalis malate dehydrogenase, putative 0.0284 0.2459 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0284 0.2459 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0284 0.2459 0.5
Echinococcus multilocularis malate dehydrogenase 0.0284 0.2459 0.1879
Echinococcus granulosus cytosolic malate dehydrogenase 0.0284 0.2459 0.1879
Trichomonas vaginalis malate dehydrogenase, putative 0.0284 0.2459 1
Echinococcus granulosus lactate dehydrogenase a 0.073 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0284 0.2459 1
Echinococcus granulosus lactate dehydrogenase a 0.073 1 1
Chlamydia trachomatis malate dehydrogenase 0.0284 0.2459 0.5
Toxoplasma gondii lactate dehydrogenase LDH1 0.073 1 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0284 0.2459 1
Plasmodium falciparum malate dehydrogenase 0.073 1 1
Toxoplasma gondii lactate dehydrogenase LDH2 0.073 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 0.7079 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.9953 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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

No literature references available for this target.

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