Detailed information for compound 1500328

Basic information

Technical information
  • TDR Targets ID: 1500328
  • Name: N-(3-acetylphenyl)-2-[2-(1,3-thiazol-5-yl)ben zimidazol-1-yl]acetamide
  • MW: 376.432 | Formula: C20H16N4O2S
  • H donors: 1 H acceptors: 4 LogP: 2.86 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1c(nc2c1cccc2)c1cncs1)Nc1cccc(c1)C(=O)C
  • InChi: 1S/C20H16N4O2S/c1-13(25)14-5-4-6-15(9-14)22-19(26)11-24-17-8-3-2-7-16(17)23-20(24)18-10-21-12-27-18/h2-10,12H,11H2,1H3,(H,22,26)
  • InChiKey: UROYSLBGZMCKCZ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-acetylphenyl)-2-(2-thiazol-5-ylbenzimidazol-1-yl)acetamide
  • N-(3-acetylphenyl)-2-[2-(5-thiazolyl)-1-benzimidazolyl]acetamide
  • N-(3-ethanoylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]ethanamide
  • NCGC00099358-01
  • BAS 03143399
  • N-(3-Acetyl-phenyl)-2-(2-thiazol-5-yl-benzoimidazol-1-yl)-acetamide
  • ZINC00896524

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570

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
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0097 1 0.5
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0097 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0025 0.0222 0.0222
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0097 1 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0025 0.0222 0.0222
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0097 1 0.5
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0097 1 0.5
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0097 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0097 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0222 0.005
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0097 1 0.5
Entamoeba histolytica hypothetical protein 0.0097 1 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.2686 0.2686
Loa Loa (eye worm) steroid hormone receptor 0.0025 0.0222 0.005
Loa Loa (eye worm) hypothetical protein 0.0025 0.0222 0.005
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0025 0.0222 0.0222
Brugia malayi PHD-finger family protein 0.003 0.0876 0.0669
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0487 0.0487
Brugia malayi Bromodomain containing protein 0.0046 0.3075 0.2918
Schistosoma mansoni steroid hormone receptor ad4bp 0.0025 0.0222 0.0222
Echinococcus multilocularis thyroid hormone receptor alpha 0.0025 0.0222 0.0222
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0025 0.0222 0.005
Echinococcus multilocularis synaptic glycoprotein sc2 0.0097 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0025 0.0222 0.0222
Loa Loa (eye worm) hypothetical protein 0.0097 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0222 0.005
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0097 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0025 0.0222 0.0222
Onchocerca volvulus 0.0097 1 1
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0097 1 0.5
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0097 1 0.5
Plasmodium falciparum polyprenol reductase, putative 0.0097 1 0.5
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0097 1 0.5
Schistosoma mansoni bromodomain containing protein 0.0076 0.7178 0.7178
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0097 1 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0025 0.0222 0.0222
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0097 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0025 0.0222 0.005
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0487 0.0487
Loa Loa (eye worm) hypothetical protein 0.0025 0.0222 0.005
Schistosoma mansoni thyroid hormone receptor 0.0025 0.0222 0.0222
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0025 0.0222 0.0222
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0097 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.3476 0.336
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0097 1 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0025 0.0222 0.0222
Loa Loa (eye worm) hypothetical protein 0.0085 0.8401 0.8372
Trichomonas vaginalis conserved hypothetical protein 0.0097 1 0.5
Mycobacterium ulcerans hypothetical protein 0.0097 1 0.5
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0097 1 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0025 0.0222 0.0222
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0025 0.0222 0.0222
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0025 0.0222 0.005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0025 0.0222 0.005
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0025 0.0222 0.0222
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0025 0.0222 0.0222
Echinococcus multilocularis ecdysone induced protein 78C 0.0025 0.0222 0.0222
Giardia lamblia Synaptic glycoprotein SC2 0.0097 1 0.5
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0097 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0025 0.0222 0.0222
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0025 0.0222 0.0222
Echinococcus granulosus FTZ F1 alpha 0.0025 0.0222 0.0222
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.659 0.659
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0025 0.0222 0.0222
Loa Loa (eye worm) hypothetical protein 0.0025 0.0222 0.005
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0025 0.0222 0.0222
Schistosoma mansoni hypothetical protein 0.0025 0.0174 0.0174
Schistosoma mansoni nuclear hormone receptor 0.0025 0.0222 0.0222
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.659 0.659
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0025 0.0222 0.005
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0097 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 1 1
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0097 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.3789 0.368
Plasmodium vivax polyprenol reductase, putative 0.0097 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0222 0.005
Loa Loa (eye worm) hypothetical protein 0.0025 0.0222 0.005
Echinococcus granulosus synaptic glycoprotein sc2 0.0097 1 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0097 1 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.2686 0.2686
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0025 0.0222 0.0222
Loa Loa (eye worm) hypothetical protein 0.0025 0.0222 0.005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0025 0.0222 0.005
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0097 1 0.5
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0097 1 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0025 0.0222 0.0222
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0097 1 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0025 0.0222 0.0222
Echinococcus multilocularis FTZ F1 alpha 0.0025 0.0222 0.0222
Echinococcus granulosus ecdysone induced protein 78C 0.0025 0.0222 0.0222
Brugia malayi Bromodomain containing protein 0.0091 0.9103 0.9083
Loa Loa (eye worm) hypothetical protein 0.0046 0.3087 0.2965
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0025 0.0222 0.0222
Schistosoma mansoni coup transcription factor 0.0025 0.0222 0.0222
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0097 1 0.5
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0097 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0025 0.0222 0.0222
Schistosoma mansoni thyroid hormone receptor 0.0025 0.0222 0.0222
Loa Loa (eye worm) hypothetical protein 0.0097 1 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0487 0.0487
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0025 0.0222 0.005
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0097 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.