Detailed information for compound 1064804

Basic information

Technical information
  • TDR Targets ID: 1064804
  • Name: 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-e thoxyphenyl)acetamide
  • MW: 346.765 | Formula: C17H15ClN2O4
  • H donors: 1 H acceptors: 2 LogP: 3.19 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1NC(=O)Cn1c(=O)oc2c1ccc(c2)Cl
  • InChi: 1S/C17H15ClN2O4/c1-2-23-14-6-4-3-5-12(14)19-16(21)10-20-13-8-7-11(18)9-15(13)24-17(20)22/h3-9H,2,10H2,1H3,(H,19,21)
  • InChiKey: CGQQUAZUALGBAL-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(6-chloro-2-keto-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide
  • 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)ethanamide
  • Oprea1_399709

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Mycobacterium tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0187 0.5004 0.8254
Schistosoma mansoni tyrosine kinase 0.0187 0.4981 0.4803
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0035 0.0344 0.0567
Leishmania major oxidoreductase, putative 0.0035 0.0344 1
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0035 0.0344 0.0567
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0035 0.0344 0.5
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0035 0.0344 0.0567
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0222 0.6062 1
Trypanosoma brucei oxidoreductase, putative 0.0035 0.0344 0.5
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0222 0.6062 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0189 0.5042 0.4866
Leishmania major zinc binding dehydrogenase-like protein 0.0035 0.0344 1
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0222 0.6062 1
Onchocerca volvulus 0.0035 0.0344 0.0567
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0035 0.0344 0.0344
Loa Loa (eye worm) hypothetical protein 0.0035 0.0344 0.0344
Mycobacterium ulcerans short-chain dehydrogenase 0.0035 0.0344 0.0567
Echinococcus multilocularis 0.0109 0.2602 0.2338
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0035 0.0344 0.0567
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0035 0.0344 0.0567
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0035 0.0344 0.5
Mycobacterium ulcerans quinone oxidoreductase 0.0035 0.0344 0.0567
Mycobacterium tuberculosis Probable NADPH quinone oxidoreductase FadB4 (NADPH:quinone reductase) (zeta-crystallin) 0.0035 0.0344 0.0567
Mycobacterium leprae Probable polyketide synthase Pks1 0.0035 0.0344 0.0567
Schistosoma mansoni tyrosine kinase 0.0112 0.2709 0.2449
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0035 0.0344 0.5
Mycobacterium tuberculosis Probable quinone reductase Qor (NADPH:quinone reductase) (zeta-crystallin homolog protein) 0.0035 0.0344 0.0567
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0222 0.6062 1
Mycobacterium ulcerans dehydrogenase 0.0035 0.0344 0.0567
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0035 0.0344 0.5
Mycobacterium ulcerans NADPH quinone oxidoreductase FadB4 0.0035 0.0344 0.0567
Mycobacterium tuberculosis Possible dehydrogenase 0.0035 0.0344 0.0567
Mycobacterium tuberculosis Possible oxidoreductase FadB5 0.0035 0.0344 0.0567
Mycobacterium tuberculosis Probable alcohol dehydrogenase AdhA 0.0035 0.0344 0.0567
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0035 0.0344 0.0567
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0035 0.0344 0.0567
Onchocerca volvulus Putative alcohol dehydrogenase 0.0222 0.6062 1
Leishmania major quinone oxidoreductase, putative 0.0035 0.0344 1
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase Adh 0.0035 0.0344 0.0567
Mycobacterium leprae Probable alcohol dehydrogenase AdhA 0.0035 0.0344 0.0567
Mycobacterium tuberculosis S-nitrosomycothiol reductase MscR 0.0035 0.0344 0.0567
Mycobacterium leprae PROBABLE NADP-DEPENDENT ALCOHOL DEHYDROGENASE ADHC 0.0035 0.0344 0.0567
Echinococcus granulosus epidermal growth factor receptor 0.0189 0.5042 0.4866
Wolbachia endosymbiont of Brugia malayi NADPH:quinone reductase 0.0035 0.0344 0.5
Schistosoma mansoni tyrosine kinase 0.0112 0.2709 0.2449
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0035 0.0344 1
Mycobacterium ulcerans polyketide synthase 0.0035 0.0344 0.0567
Schistosoma mansoni alcohol dehydrogenase 0.0222 0.6062 0.5922
Trypanosoma cruzi oxidoreductase, putative 0.0035 0.0344 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0035 0.0344 0.0567
Schistosoma mansoni tyrosine kinase 0.0351 1 1
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0035 0.0344 0.5
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0035 0.0344 0.0344
Mycobacterium tuberculosis Probable NADP-dependent alcohol dehydrogenase AdhC 0.0035 0.0344 0.0567
Echinococcus granulosus epidermal growth factor receptor 0.0351 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0344 0.0344
Loa Loa (eye worm) hypothetical protein 0.0035 0.0344 0.0344
Mycobacterium leprae Probable oxidireductase 0.0035 0.0344 0.0567
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0222 0.6062 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0112 0.2709 0.2449
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1 0.0187 0.5004 0.8254
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase AdhC 0.0035 0.0344 0.0567
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0035 0.0344 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0035 0.0344 0.0567
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0035 0.0344 1
Mycobacterium ulcerans quinone reductase Qor 0.0035 0.0344 0.0567
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0035 0.0344 1
Mycobacterium tuberculosis Possible quinone oxidoreductase (NADPH:quinone oxidoreductase) (zeta-crystallin) 0.0035 0.0344 0.0567
Loa Loa (eye worm) TK/EGFR protein kinase 0.0351 1 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0035 0.0344 0.0567
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0222 0.6062 1
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0222 0.6062 0.6062
Echinococcus multilocularis epidermal growth factor receptor 0.0189 0.5042 0.4866
Mycobacterium ulcerans quinone oxidoreductase 0.0035 0.0344 0.0567
Brugia malayi Protein kinase domain containing protein 0.0112 0.2709 0.2709
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0035 0.0344 0.0567
Schistosoma mansoni tyrosine kinase 0.0189 0.5042 0.4866
Schistosoma mansoni tyrosine kinase 0.0187 0.4981 0.4803
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0035 0.0344 0.0567
Mycobacterium tuberculosis Possible dehydrogenase 0.0035 0.0344 0.0567
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0035 0.0344 0.5
Leishmania major oxidoreductase-like protein 0.0035 0.0344 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0112 0.2709 0.2449
Schistosoma mansoni tyrosine kinase 0.0189 0.5042 0.4866
Mycobacterium ulcerans oxidoreductase 0.0035 0.0344 0.0567
Brugia malayi Alcohol dehydrogenase class III 0.0222 0.6062 0.6062
Trypanosoma cruzi oxidoreductase, putative 0.0035 0.0344 0.5
Mycobacterium ulcerans Zn-dependent alcohol dehydrogenase, AdhX 0.0035 0.0344 0.0567
Echinococcus multilocularis insulin receptor 0.0112 0.2709 0.2449
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0035 0.0344 0.5
Schistosoma mansoni tyrosine kinase 0.0187 0.4981 0.4803
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0222 0.6062 1
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0035 0.0344 0.5
Leishmania major d-xylulose reductase, putative 0.0035 0.0344 1
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0222 0.6062 1
Echinococcus granulosus insulin receptor 0.0112 0.2709 0.2449
Entamoeba histolytica NADP-dependent alcohol dehydrogenase 0.0035 0.0344 1
Loa Loa (eye worm) TK/INSR protein kinase 0.0112 0.2709 0.2709
Mycobacterium tuberculosis Probable alcohol dehydrogenase Adh 0.0035 0.0344 0.0567
Echinococcus multilocularis epidermal growth factor receptor 0.0351 1 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0036 0.0373 0.0051
Mycobacterium ulcerans oxidoreductase FadB5 0.0035 0.0344 0.0567
Trypanosoma brucei oxidoreductase, putative 0.0035 0.0344 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) 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

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.