Detailed information for compound 269598

Basic information

Technical information
  • TDR Targets ID: 269598
  • Name: 2-(4-chlorophenyl)acetamide
  • MW: 169.608 | Formula: C8H8ClNO
  • H donors: 1 H acceptors: 1 LogP: 1.36 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)Cc1ccc(cc1)Cl
  • InChi: 1S/C8H8ClNO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)
  • InChiKey: BFYGROHYLCZLGS-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(4-chlorophenyl)ethanamide
  • InChI=1/C8H8ClNO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11
  • benzeneacetamide, 4-chloro-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Alcohol dehydrogenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1 Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) Get druggable targets OG5_127257 All targets in OG5_127257
Toxoplasma gondii Zn-containing alcohol dehydrogenase Get druggable targets OG5_127257 All targets in OG5_127257
Brugia malayi Alcohol dehydrogenase class III Get druggable targets OG5_127257 All targets in OG5_127257
Schistosoma japonicum ko:K00001 alcohol dehydrogenase [EC1.1.1.1], putative Get druggable targets OG5_127257 All targets in OG5_127257
Candida albicans similar to C termini of C.maltosa FDH1 and S. cerevisiae SFA1 (YDL168W) glutathione-dependent formaldehyde dehydrogenase, long-c Get druggable targets OG5_127257 All targets in OG5_127257
Schistosoma japonicum Alcohol dehydrogenase class-3, putative Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB Get druggable targets OG5_127257 All targets in OG5_127257
Schistosoma japonicum Alcohol dehydrogenase class-3, putative Get druggable targets OG5_127257 All targets in OG5_127257
Onchocerca volvulus Putative alcohol dehydrogenase Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase Get druggable targets OG5_127257 All targets in OG5_127257
Schistosoma mansoni alcohol dehydrogenase Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 Get druggable targets OG5_127257 All targets in OG5_127257
Loa Loa (eye worm) alcohol dehydrogenase class III Get druggable targets OG5_127257 All targets in OG5_127257
Neospora caninum alcohol dehydrogenase class III, putative Get druggable targets OG5_127257 All targets in OG5_127257

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi oxidoreductase, putative Alcohol dehydrogenase   374 aa 318 aa 20.1 %
Onchocerca volvulus Alcohol dehydrogenase   374 aa 376 aa 48.9 %
Toxoplasma gondii quinone oxidoreductase, putative Alcohol dehydrogenase   374 aa 323 aa 23.8 %
Onchocerca volvulus Putative ATP-dependent RNA helicase DDX52 Alcohol dehydrogenase   374 aa 337 aa 21.4 %
Mycobacterium tuberculosis Possible dehydrogenase Alcohol dehydrogenase   374 aa 350 aa 26.0 %
Candida albicans likely Zinc-binding dehydrogenase, one of two genes similar to S. cerevisiae YAL060W and BDH1 (YAL060W) butanediol dehydrogenase Alcohol dehydrogenase   374 aa 366 aa 24.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-25 0.006 0.5234 0.5234
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.006 0.5234 0.5234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.006 0.5234 0.5234
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.006 0.5234 0.5234
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.006 0.5234 0.5234
Brugia malayi photoreceptor-specific nuclear receptor 0.006 0.5234 0.5234
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.006 0.5234 0.5234
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.006 0.5234 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.006 0.5234 0.5234
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.006 0.5234 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.006 0.5234 0.5234
Echinococcus multilocularis thyroid hormone receptor alpha 0.006 0.5234 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.056 0.056
Brugia malayi Nuclear hormone receptor family member nhr-49 0.006 0.5234 0.5234
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.006 0.5234 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.006 0.5234 0.5234
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.006 0.5234 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.056 0.056
Onchocerca volvulus Bile acid receptor homolog 0.006 0.5234 0.5234
Brugia malayi Nuclear hormone receptor family member nhr-14 0.006 0.5234 0.5234
Onchocerca volvulus 0.006 0.5234 0.5234
Echinococcus granulosus retinoic acid receptor rxr beta a 0.006 0.5234 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.006 0.5234 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.006 0.5234 0.5234
Schistosoma mansoni thyroid hormone receptor 0.006 0.5234 0.5234
Brugia malayi Nuclear hormone receptor family member nhr-1 0.006 0.5234 0.5234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.006 0.5234 0.5234
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0088 1 0.5
Echinococcus granulosus FTZ F1 alpha 0.006 0.5234 1
Schistosoma mansoni nuclear hormone receptor 0.006 0.5234 0.5234
Schistosoma mansoni retinoid-x-receptor (RXR) 0.006 0.5234 0.5234
Loa Loa (eye worm) hypothetical protein 0.0031 0.056 0.056
Schistosoma mansoni thyroid hormone receptor 0.006 0.5234 0.5234
Echinococcus multilocularis ecdysone induced protein 78C 0.006 0.5234 1
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0088 1 0.5
Brugia malayi steroid hormone receptor 0.006 0.5234 0.5234
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0031 0.056 0.056
Loa Loa (eye worm) hypothetical protein 0.006 0.5234 0.5234
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0088 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.006 0.5234 0.5234
Loa Loa (eye worm) hypothetical protein 0.006 0.5234 0.5234
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0031 0.056 0.1071
Schistosoma mansoni coup transcription factor 0.006 0.5234 0.5234
Onchocerca volvulus Protein ultraspiracle homolog 0.006 0.5234 0.5234
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.056 0.056
Schistosoma mansoni alcohol dehydrogenase 0.0088 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.006 0.5234 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.006 0.5234 0.5234
Schistosoma mansoni RAR-like nuclear receptor 0.006 0.5234 0.5234
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0088 1 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.006 0.5234 0.5234
Loa Loa (eye worm) hypothetical protein 0.0031 0.056 0.056
Brugia malayi nuclear receptor NHR-88 0.006 0.5234 0.5234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.006 0.5234 0.5234
Brugia malayi Nuclear hormone receptor family member nhr-19 0.006 0.5234 0.5234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.006 0.5234 0.5234
Brugia malayi Nuclear hormone receptor family member nhr-3 0.006 0.5234 0.5234
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.056 0.056
Loa Loa (eye worm) steroid hormone receptor 0.006 0.5234 0.5234
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.006 0.5234 0.5234
Loa Loa (eye worm) hypothetical protein 0.006 0.5234 0.5234
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.006 0.5234 1
Brugia malayi nuclear hormone receptor 0.006 0.5234 0.5234
Brugia malayi Nuclear hormone receptor family member nhr-25 0.006 0.5234 0.5234
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.006 0.5234 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.006 0.5234 0.5234
Brugia malayi hypothetical protein 0.0031 0.056 0.056
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.006 0.5234 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.006 0.5234 0.5234
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0088 1 1
Brugia malayi hypothetical protein 0.0031 0.056 0.056
Brugia malayi Nuclear hormone receptor-like 1 0.006 0.5234 0.5234
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.056 0.056
Schistosoma mansoni retinoic acid receptor RXR 0.006 0.5234 0.5234
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0088 1 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.5234 0.5234
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0088 1 1
Brugia malayi nuclear receptor RXR 0.0031 0.056 0.056
Echinococcus granulosus nuclear receptor 2DBD gamma 0.006 0.5234 1
Loa Loa (eye worm) hypothetical protein 0.006 0.5234 0.5234
Loa Loa (eye worm) hypothetical protein 0.006 0.5234 0.5234
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0088 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.006 0.5234 0.5234
Brugia malayi Steroid receptor seven-up type 2 0.006 0.5234 0.5234
Echinococcus multilocularis FTZ F1 alpha 0.006 0.5234 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0031 0.056 0.1071
Onchocerca volvulus Putative alcohol dehydrogenase 0.0088 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.5234 0.5234
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.006 0.5234 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.056 0.056
Brugia malayi ecdysteroid receptor 0.006 0.5234 0.5234
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0088 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.006 0.5234 0.5234
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0031 0.056 0.056
Echinococcus granulosus ecdysone induced protein 78C 0.006 0.5234 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.006 0.5234 1
Loa Loa (eye worm) hypothetical protein 0.006 0.5234 0.5234

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 4.7 Inhibitory activity against horse liver alcohol dehydrogenase (ADH) ChEMBL. 2939242
Log 1/Ki (binding) = 4.7 Inhibitory activity against horse liver alcohol dehydrogenase (ADH) ChEMBL. 2939242
logP (ADMET) = 1.16 Partition coefficient (logP) ChEMBL. 2939242

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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