Detailed information for compound 1284216

Basic information

Technical information
  • TDR Targets ID: 1284216
  • Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thio phen-2-ylquinoline-4-carboxamide
  • MW: 432.846 | Formula: C21H12ClF3N2OS
  • H donors: 1 H acceptors: 2 LogP: 5.92 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(nc2c1cccc2)c1cccs1)Nc1cc(ccc1Cl)C(F)(F)F
  • InChi: 1S/C21H12ClF3N2OS/c22-15-8-7-12(21(23,24)25)10-17(15)27-20(28)14-11-18(19-6-3-9-29-19)26-16-5-2-1-4-13(14)16/h1-11H,(H,27,28)
  • InChiKey: CIBGZCXOWOGFFJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-thienyl)quinoline-4-carboxamide
  • N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-thienyl)-4-quinolinecarboxamide
  • N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-thienyl)cinchoninamide
  • N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiophen-2-yl-quinoline-4-carboxamide
  • NCGC00100794-01
  • AK-918/11989553
  • STK275228

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
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0104 0.0104
Loa Loa (eye worm) Smad1 0.0008 0.0104 0.0104
Brugia malayi MH2 domain containing protein 0.0008 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0018 0.0957 0.0957
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.149 1
Echinococcus granulosus tar DNA binding protein 0.0071 0.5568 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.149 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0957 0.0957
Schistosoma mansoni tar DNA-binding protein 0.0071 0.5568 1
Loa Loa (eye worm) TAR-binding protein 0.0071 0.5568 0.5568
Loa Loa (eye worm) hypothetical protein 0.0024 0.149 0.149
Brugia malayi MH1 domain containing protein 0.0008 0.0104 0.0104
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0957 0.5
Schistosoma mansoni smad1 5 8 and 0.0008 0.0104 0.0187
Loa Loa (eye worm) hypothetical protein 0.0018 0.0957 0.0957
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0104 0.0187
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0104 0.0187
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0 0.5
Echinococcus multilocularis Smad4 0.0008 0.0104 0.0187
Brugia malayi AMP-binding enzyme family protein 0.0024 0.149 0.149
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.149 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.087 0.5844
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.149 1
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0007 0 0.5
Brugia malayi AMP-binding enzyme family protein 0.0024 0.149 0.149
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0957 1
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0007 0 0.5
Brugia malayi MH1 domain containing protein 0.0008 0.0104 0.0104
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.149 1
Toxoplasma gondii propionate-CoA ligase 0.0007 0 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.149 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.149 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0 0.5
Onchocerca volvulus 0.0024 0.149 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.149 1
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.5568 0.5568
Schistosoma mansoni Smad4 0.0008 0.0104 0.0187
Loa Loa (eye worm) hypothetical protein 0.0018 0.0957 0.0957
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.087 0.5844
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.087 0.5844
Schistosoma mansoni tar DNA-binding protein 0.0071 0.5568 1
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0957 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0 0.5
Echinococcus granulosus smad 0.0008 0.0104 0.0187
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0104 0.0187
Loa Loa (eye worm) transcription factor SMAD2 0.0122 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.5568 0.5568
Schistosoma mansoni tar DNA-binding protein 0.0071 0.5568 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.149 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.5568 1
Echinococcus granulosus Smad4 0.0008 0.0104 0.0187
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.149 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.149 1
Brugia malayi MH2 domain containing protein 0.0008 0.0104 0.0104
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.149 1
Brugia malayi TAR-binding protein 0.0071 0.5568 0.5568
Brugia malayi RNA binding protein 0.0071 0.5568 0.5568
Schistosoma mansoni smad1 5 8 and 0.0008 0.0104 0.0187
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0104 0.0187
Schistosoma mansoni smad1 5 8 and 0.0008 0.0104 0.0187
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0104 0.0187
Schistosoma mansoni smad 0.0008 0.0104 0.0187
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0104 0.0104
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.149 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.149 1
Loa Loa (eye worm) RNA binding protein 0.0071 0.5568 0.5568
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0957 0.6421
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.149 0.149
Loa Loa (eye worm) hypothetical protein 0.0018 0.0957 0.0957
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.149 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0 0.5
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0 0.5
Brugia malayi Smad1 0.0008 0.0104 0.0104
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.087 0.5844
Echinococcus multilocularis smad 0.0008 0.0104 0.0187
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.149 1
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.149 0.149
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.149 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0957 0.6421
Schistosoma mansoni tar DNA-binding protein 0.0071 0.5568 1
Echinococcus multilocularis tar DNA binding protein 0.0071 0.5568 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.149 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.149 0.149

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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.

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