Detailed information for compound 1806556

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.28 | Formula: C19H20Cl2N2O3
  • H donors: 1 H acceptors: 1 LogP: 4.14 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)C(c1ccccc1CO/N=C(/c1ccc(cc1Cl)Cl)\C)OC
  • InChi: 1S/C19H20Cl2N2O3/c1-12(15-9-8-14(20)10-17(15)21)23-26-11-13-6-4-5-7-16(13)18(25-3)19(24)22-2/h4-10,18H,11H2,1-3H3,(H,22,24)/b23-12+
  • InChiKey: PRAAQCXARDMQPA-FSJBWODESA-N  

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi Cathepsin L-like cysteine proteinase 0.0012 0.0072 0.0276
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0202 0.1366
Onchocerca volvulus 0.0012 0.0072 0.019
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0202 0.0774
Onchocerca volvulus Cathepsin F homolog 0.0019 0.0202 0.1146
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1404 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0046 0.0167
Loa Loa (eye worm) hypothetical protein 0.0011 0.0046 0.0177
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0046 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0046 0.0177
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0046 0.0154
Schistosoma mansoni coup transcription factor 0.0011 0.0046 0.0154
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0046 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0046 0.0177
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0202 0.1366
Mycobacterium leprae conserved hypothetical protein 0.0075 0.1404 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0202 0.0774
Brugia malayi MH2 domain containing protein 0.0132 0.2608 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0202 0.1366
Brugia malayi Cathepsin L-like precursor 0.0012 0.0072 0.0276
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.1404 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0012 0.0038
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0019 0.0202 0.0774
Onchocerca volvulus 0.0019 0.0202 0.1146
Echinococcus multilocularis cysteine protease 0.0019 0.0202 0.0673
Brugia malayi Cathepsin L-like precursor 0.0019 0.0202 0.0774
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0202 0.1366
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0046 0.0154
Echinococcus multilocularis thyroid hormone receptor alpha 0.0151 0.2997 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.1404 0.5385
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0202 0.1366
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.1404 0.4686
Brugia malayi Papain family cysteine protease containing protein 0.001 0.0012 0.0044
Mycobacterium leprae Probable lipase LipE 0.0075 0.1404 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0046 0.0177
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0046 0.0167
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0202 0.1366
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0202 0.1146
Brugia malayi Cathepsin L-like precursor 0.0019 0.0202 0.0774
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0046 0.0154
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.1305 0.9284
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0202 0.1366
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.1404 0.5385
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0202 0.1366
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0046 0.0177
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0046 0.0154
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.1305 0.9284
Onchocerca volvulus 0.0019 0.0202 0.1146
Loa Loa (eye worm) cysteine protease 0.0019 0.0202 0.0774
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0202 0.1366
Plasmodium vivax vivapain-2 0.0019 0.0202 0.1366
Echinococcus granulosus cathepsin L cysteine proteinase 0.0019 0.0202 0.0731
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.1305 0.9284
Echinococcus granulosus cathepsin L 0.001 0.0012 0.0042
Leishmania major cathepsin L-like protease 0.0071 0.1305 0.9171
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.0202 0.1366
Loa Loa (eye worm) fibroinase 0.0019 0.0202 0.0774
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0202 0.1366
Brugia malayi nuclear receptor NHR-88 0.0011 0.0046 0.0177
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0202 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0202 0.0673
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1404 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0046 0.0154
Trichomonas vaginalis esterase, putative 0.0075 0.1404 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0046 0.0177
Brugia malayi nuclear hormone receptor 0.0011 0.0046 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0046 0.0177
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0019 0.0202 1
Toxoplasma gondii ABC1 family protein 0.0075 0.1404 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0202 0.1366
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0046 0.0177
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.2608 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0012 0.0072 0.0435
Entamoeba histolytica cysteine protease, putative 0.0019 0.0202 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0046 0.0177
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0202 0.1366
Leishmania major hypothetical protein, conserved 0.0075 0.1404 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0046 0.0177
Loa Loa (eye worm) hypothetical protein 0.0011 0.0046 0.0177
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0202 0.1146
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0012 0.0038
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.1404 1
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0202 0.0673
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0012 0.0038
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.1305 0.9284
Onchocerca volvulus 0.0019 0.0202 0.1146
Loa Loa (eye worm) hypothetical protein 0.0011 0.0046 0.0177
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0046 0.0154
Brugia malayi Cathepsin L-like precursor 0.0012 0.0072 0.0276
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.1305 0.9284
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0202 0.1366
Brugia malayi cathepsin L-like precursor 0.0012 0.0072 0.0276
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.1404 0.5088
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0276
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0019 0.0202 0.0774
Mycobacterium ulcerans lipase LipD 0.0075 0.1404 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.1404 0.4686
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0046 0.0154
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0046 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0046 0.0177
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0046 0.0154
Onchocerca volvulus 0.0075 0.1404 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.1305 0.9284
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0202 0.1366
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0046 0.0154
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0202 0.1366
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.0202 0.1366
Plasmodium vivax vivapain-2 0.0019 0.0202 0.1366
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0046 0.0167
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.1404 0.4686
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0046 0.0154
Entamoeba histolytica cysteine proteinase, putative 0.0012 0.0072 0.3182
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0046 0.0167
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0046 0.0177
Loa Loa (eye worm) hypothetical protein 0.0011 0.0046 0.0177
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0046 0.0154
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.1305 0.9284
Trypanosoma cruzi major cysteine proteinase, putative 0.0056 0.0985 0.6986
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0046 0.0154
Onchocerca volvulus 0.0019 0.0202 0.1146
Loa Loa (eye worm) hypothetical protein 0.0075 0.1404 0.5385
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.1305 0.9284
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0046 0.0177
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0202 0.0673
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0046 0.0154
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0202 0.1366
Plasmodium falciparum cysteine proteinase falcipain 3 0.0019 0.0202 1
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0046 0.0177
Loa Loa (eye worm) hypothetical protein 0.0075 0.1404 0.5385
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0046 0.0167
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0046 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0046 0.0177
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0012 0.0072 0.0435
Echinococcus multilocularis cathepsin L 0.001 0.0012 0.0038
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.1404 1
Schistosoma mansoni hypothetical protein 0.014 0.276 0.921
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.1305 0.9284
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0046 0.0154
Echinococcus granulosus cysteine protease 0.001 0.0012 0.0042
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0202 0.1366
Brugia malayi beta-lactamase family protein 0.0075 0.1404 0.5385
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.014 0.276 0.921
Loa Loa (eye worm) beta-lactamase 0.0075 0.1404 0.5385
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.1404 0.5385
Loa Loa (eye worm) hypothetical protein 0.0075 0.1404 0.5385
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0046 0.0167
Echinococcus multilocularis cysteine protease 0.0019 0.0202 0.0673
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0046 0.0167
Leishmania major cathepsin L-like protease 0.0071 0.1305 0.9171
Echinococcus granulosus cathepsin l1 0.0012 0.0072 0.0261
Echinococcus granulosus cathepsin l cysteine peptidase 0.0019 0.0202 0.0731
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.1305 0.9284
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0046 0.0177
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0046 0.0167
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0065 0.1175 0.8353
Onchocerca volvulus 0.0019 0.0202 0.1146
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0202 0.0673
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.014 0.276 1
Leishmania major cathepsin L-like protease 0.0071 0.1305 0.9171
Brugia malayi Cathepsin L-like precursor 0.0019 0.0202 0.0774
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0046 0.0177
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0276
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0046 0.0177
Brugia malayi Papain family cysteine protease containing protein 0.001 0.0012 0.0044
Schistosoma mansoni thyroid hormone receptor 0.0151 0.2997 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0276
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.1404 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0046 0.0177
Plasmodium vivax hypothetical protein, conserved 0.0075 0.1404 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.1305 0.9284
Trypanosoma cruzi cysteine peptidase, putative 0.0019 0.0202 0.1366
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.1305 0.9284
Loa Loa (eye worm) ctsf protein 0.0019 0.0202 0.0774
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0046 0.0167
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1404 1
Echinococcus granulosus cathepsin L cysteine protease 0.001 0.0012 0.0042
Onchocerca volvulus 0.0019 0.0202 0.1146
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0046 0.0177
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0046 0.0154
Onchocerca volvulus 0.0075 0.1404 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0046 0.0154
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.1305 0.9284
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.1404 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0202 0.1366
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.1404 1
Brugia malayi beta-lactamase 0.0075 0.1404 0.5385
Echinococcus granulosus cathepsin l1 0.0019 0.0202 0.0731
Brugia malayi Cathepsin L-like precursor 0.0019 0.0202 0.0774
Brugia malayi ecdysteroid receptor 0.0011 0.0046 0.0177
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0202 0.0673
Brugia malayi beta-lactamase family protein 0.0075 0.1404 0.5385
Loa Loa (eye worm) hypothetical protein 0.0075 0.1404 0.5385
Brugia malayi Cathepsin L-like precursor 0.0019 0.0202 0.0774
Schistosoma mansoni thyroid hormone receptor 0.0151 0.2997 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0046 0.0177
Mycobacterium ulcerans beta-lactamase 0.0075 0.1404 0.5
Onchocerca volvulus 0.0075 0.1404 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0046 0.0177
Brugia malayi Cathepsin L-like precursor 0.0019 0.0202 0.0774
Trypanosoma cruzi cruzipain precursor, putative 0.0071 0.1305 0.9284
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0019 0.0202 1
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.1305 0.9284
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0202 0.1366
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.2608 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0046 0.0154
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0202 0.1366
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0046 0.0177
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0046 0.0177
Loa Loa (eye worm) hypothetical protein 0.0075 0.1404 0.5385
Brugia malayi steroid hormone receptor 0.0011 0.0046 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0046 0.0177
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0202 0.0673
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0202 0.1366
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.1404 0.5
Mycobacterium ulcerans hypothetical protein 0.0075 0.1404 0.5
Onchocerca volvulus 0.0019 0.0202 0.1146
Schistosoma mansoni cathepsin F (C01 family) 0.0012 0.0072 0.024
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0202 0.1366
Loa Loa (eye worm) hypothetical protein 0.0011 0.0046 0.0177
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0202 0.1366
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0202 1

Activities

No activities found for this compound.

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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