Detailed information for compound 51158

Basic information

Technical information
  • TDR Targets ID: 51158
  • Name: 3-(5-chloro-2-methoxyphenyl)-6-(trifluorometh yl)-1,3-dihydroindol-2-one
  • MW: 341.712 | Formula: C16H11ClF3NO2
  • H donors: 1 H acceptors: 1 LogP: 3.95 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1C1C(=O)Nc2c1ccc(c2)C(F)(F)F)Cl
  • InChi: 1S/C16H11ClF3NO2/c1-23-13-5-3-9(17)7-11(13)14-10-4-2-8(16(18,19)20)6-12(10)21-15(14)22/h2-7,14H,1H3,(H,21,22)
  • InChiKey: RRSDYHBCICNUFM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(5-chloro-2-methoxy-phenyl)-6-(trifluoromethyl)indolin-2-one
  • 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-2-indolinone
  • 3-(5-chloro-2-methoxy-phenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one
  • 3-(5-chloro-2-methoxy-phenyl)-6-(trifluoromethyl)oxindole

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 prolyl oligopeptidase family protein 0.007 0.0799 0.0799
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0171 0.0462
Schistosoma mansoni hypothetical protein 0.0043 0.013 0.0349
Echinococcus granulosus prolyl endopeptidase 0.0141 0.2567 0.7133
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0182 0.3596 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.007 0.0799 0.2211
Toxoplasma gondii prolyl endopeptidase 0.0141 0.2567 1
Brugia malayi hypothetical protein 0.0043 0.0131 0.0131
Loa Loa (eye worm) hypothetical protein 0.0052 0.0342 0.0337
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.007 0.0799 0.0794
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.007 0.0799 0.0794
Brugia malayi beta-lactamase family protein 0.0038 0.0005 0.0005
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0115 0.1915 0.3704
Loa Loa (eye worm) glutathione reductase 0.005 0.0305 0.03
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.007 0.0799 0.0794
Plasmodium falciparum thioredoxin reductase 0.005 0.0305 0.5
Echinococcus granulosus Niemann Pick C1 protein 0.0105 0.1665 0.4621
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0171 0.0462
Echinococcus multilocularis protein dispatched 1 0.0051 0.033 0.0904
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0141 0.2567 0.7133
Loa Loa (eye worm) hypothetical protein 0.0045 0.0171 0.0166
Brugia malayi prolyl oligopeptidase family protein 0.0141 0.2567 0.2567
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0305 0.0835
Loa Loa (eye worm) hypothetical protein 0.0043 0.0131 0.0126
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0128 0.2234 0.4324
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0182 0.3596 1
Schistosoma mansoni hypothetical protein 0.0043 0.013 0.0349
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0114 0.1899 0.3673
Trypanosoma brucei oligopeptidase b 0.0064 0.0649 0.0644
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0305 0.0835
Mycobacterium tuberculosis Probable reductase 0.0115 0.1915 0.3704
Echinococcus multilocularis protein patched 0.0045 0.0171 0.0462
Echinococcus multilocularis expressed conserved protein 0.0099 0.1506 0.4179
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0245 0.5161 1
Brugia malayi Thioredoxin reductase 0.005 0.0305 0.0305
Echinococcus granulosus expressed conserved protein 0.0099 0.1506 0.4179
Loa Loa (eye worm) glutamate receptor 0.0042 0.0099 0.0094
Leishmania major C-8 sterol isomerase-like protein 0.0439 1 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0048 0.0243 0.0662
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0115 0.1915 0.3704
Trypanosoma brucei prolyl endopeptidase 0.0141 0.2567 0.2563
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0115 0.1915 0.8565
Trypanosoma brucei trypanothione reductase 0.005 0.0305 0.03
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0052 0.0342 0.0937
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0064 0.0649 0.0644
Echinococcus granulosus metabotropic glutamate receptor 5 0.0052 0.0342 0.0937
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0064 0.0649 0.0644
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0439 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0182 0.3596 0.3596
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.007 0.0799 0.3099
Trypanosoma brucei C-8 sterol isomerase, putative 0.0439 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0128 0.2234 1
Trypanosoma cruzi prolyl endopeptidase 0.0141 0.2567 0.2563
Brugia malayi beta-lactamase 0.0038 0.0005 0.0005
Echinococcus granulosus Dipeptidyl peptidase 9 0.007 0.0799 0.2211
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0141 0.2567 0.7133
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0182 0.3596 1
Schistosoma mansoni hypothetical protein 0.0043 0.013 0.0349
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0171 0.0166
Schistosoma mansoni patched 1 0.0045 0.0171 0.0462
Echinococcus granulosus Niemann Pick C1 protein 0.015 0.2787 0.7748
Mycobacterium tuberculosis Probable oxidoreductase 0.0128 0.2234 0.4324
Loa Loa (eye worm) hypothetical protein 0.0055 0.0424 0.0419
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0305 0.03
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0115 0.1915 0.3704
Mycobacterium tuberculosis Probable dehydrogenase 0.0115 0.1915 0.3704
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0064 0.0649 0.1248
Plasmodium vivax glutathione reductase, putative 0.005 0.0305 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0182 0.3596 1
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0171 0.0462
Schistosoma mansoni hypothetical protein 0.0043 0.013 0.0349
Leishmania major trypanothione reductase 0.005 0.0305 0.03
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0305 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0115 0.1915 0.3704
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0005 0.0005
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0064 0.0649 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0305 0.0581
Brugia malayi CHE-14 protein 0.0045 0.0171 0.0171
Plasmodium falciparum glutathione reductase 0.005 0.0305 0.5
Brugia malayi Niemann-Pick C1 protein precursor 0.0105 0.1665 0.1665
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.007 0.0799 0.0794
Loa Loa (eye worm) hypothetical protein 0.0141 0.2567 0.2563
Loa Loa (eye worm) prolyl oligopeptidase 0.0182 0.3596 0.3593
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.007 0.0799 0.0794
Mycobacterium tuberculosis Probable peptidase 0.0064 0.0649 0.1248
Echinococcus multilocularis prolyl endopeptidase 0.0141 0.2567 0.7133
Brugia malayi Metabotropic glutamate receptor precursor. 0.0042 0.0099 0.0099
Leishmania major oligopeptidase b 0.0064 0.0649 0.0644
Onchocerca volvulus Prolyl endopeptidase homolog 0.0141 0.2567 0.7133
Loa Loa (eye worm) hypothetical protein 0.0105 0.1665 0.166
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0141 0.2567 0.2563
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0128 0.2234 0.4324
Toxoplasma gondii thioredoxin reductase 0.005 0.0305 0.117
Echinococcus multilocularis Niemann Pick C1 protein 0.0105 0.1665 0.4621
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.007 0.0799 0.2211
Brugia malayi glutathione reductase 0.005 0.0305 0.0305
Trypanosoma cruzi oligopeptidase b 0.0064 0.0649 0.0644
Loa Loa (eye worm) hypothetical protein 0.0439 1 1
Brugia malayi beta-lactamase family protein 0.0038 0.0005 0.0005
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0107 0.1705 0.4734
Trypanosoma brucei prolyl oligopeptidase, putative 0.0064 0.0649 0.0644
Loa Loa (eye worm) hypothetical protein 0.0225 0.4646 0.4643
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0305 0.03
Trypanosoma cruzi oligopeptidase b 0.0064 0.0649 0.0644
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0171 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0105 0.1665 0.5
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0064 0.0649 0.2887
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0064 0.0649 0.0644
Echinococcus multilocularis Niemann Pick C1 protein 0.015 0.2787 0.7748
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0064 0.0649 0.0644

Activities

Activity type Activity value Assay description Source Reference
Increase (functional) = 110 % Effect on Maxi-K-Mediated outward current in Xenopus laevis oocytes expressing cloned mSlo maxi-K channels at 20 uM ChEMBL. 11906290

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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