Detailed information for compound 37655

Basic information

Technical information
  • TDR Targets ID: 37655
  • Name: N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinol in-4-yl]amino]benzoyl]piperazine-1-sulfonamid e
  • MW: 507.529 | Formula: C23H24F3N5O3S
  • H donors: 1 H acceptors: 4 LogP: 3.05 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccc(cc1)Nc1ccnc2c1ccc(c2)C(F)(F)F)N1CCN(CC1)S(=O)(=O)N(C)C
  • InChi: 1S/C23H24F3N5O3S/c1-29(2)35(33,34)31-13-11-30(12-14-31)22(32)16-3-6-18(7-4-16)28-20-9-10-27-21-15-17(23(24,25)26)5-8-19(20)21/h3-10,15H,11-14H2,1-2H3,(H,27,28)
  • InChiKey: SUQWLSDRZTXODO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-dimethyl-4-[4-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoyl]piperazine-1-sulfonamide
  • N,N-dimethyl-4-[oxo-[4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenyl]methyl]-1-piperazinesulfonamide
  • N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]carbonyl-piperazine-1-sulfonamide
  • 72141-54-9
  • 1-Piperazinesulfonamide, N,N-dimethyl-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-
  • BRN 6253023
  • N,N-Dimethyl-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-1-piperazinesulfonamide

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
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0009 0.0016 0.0006
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.1693 0.6161 0.6157
Plasmodium falciparum DNA topoisomerase 2 0.0127 0.0447 0.0971
Mycobacterium leprae PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE) 0.0079 0.0272 0.1035
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0199 0.0709 0.1046
Echinococcus multilocularis glutamate receptor 2 0.2302 0.8383 0.8382
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0063 0.127
Trypanosoma brucei DNA topoisomerase ii 0.0127 0.0447 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.2745 1 1
Echinococcus granulosus glutamate receptor 2 0.2302 0.8383 0.8382
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0017 0.0007
Echinococcus multilocularis glutamate receptor 2 0.2518 0.9171 0.917
Loa Loa (eye worm) RGC/RGC protein kinase 0.0227 0.0812 0.0869
Echinococcus multilocularis glutamate receptor 4 0.1403 0.5101 0.5096
Schistosoma mansoni glutamate receptor NMDA 0.1115 0.4053 0.7596
Brugia malayi Receptor family ligand binding region containing protein 0.0227 0.0812 0.0869
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.2745 1 1
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0794 0.2879 0.2872
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0227 0.0812 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0047 0.0034
Leishmania major extracellular receptor, putative 0.0227 0.0812 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0016 0.0037
Mycobacterium ulcerans DNA gyrase subunit A 0.1224 0.4451 1
Entamoeba histolytica hypothetical protein 0.0227 0.0812 1
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0199 0.0709 0.1479
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0794 0.2879 0.2872
Brugia malayi Glutamate receptor 2 precursor 0.2518 0.9171 1
Schistosoma mansoni glutamate receptor AMPA 0.1115 0.4053 0.7596
Schistosoma mansoni tyrosine kinase 0.0227 0.0812 0.1507
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0009 0.0016 0.0006
Schistosoma mansoni glutamate receptor kainate 0.1466 0.5332 1
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase 0.0079 0.0272 0.0279
Echinococcus granulosus glutamate receptor subunit protein glur 0.1846 0.6718 0.6715
Chlamydia trachomatis DNA gyrase subunit A 0.1224 0.4451 1
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative 0.0079 0.0272 0.053
Echinococcus granulosus nmda type glutamate receptor 0.0642 0.2325 0.2318
Loa Loa (eye worm) hypothetical protein 0.0227 0.0812 0.0869
Echinococcus granulosus glutamate receptor 1 0.1403 0.5101 0.5096
Loa Loa (eye worm) hypothetical protein 0.0021 0.0059 0.0047
Brugia malayi metabotropic glutamate receptor type 2 0.0227 0.0812 0.0869
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0127 0.0447 0.5357
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0127 0.0447 0.0438
Schistosoma mansoni DNA helicase recq1 0.0009 0.0016 0.0012
Echinococcus granulosus metabotropic glutamate receptor 5 0.0227 0.0812 0.0803
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0037 0.0083
Trichomonas vaginalis DNA helicase recq, putative 0.0012 0.0026 0.0419
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0443 0.16 0.1591
Loa Loa (eye worm) hypothetical protein 0.1403 0.5101 0.5554
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0227 0.0812 0.0803
Onchocerca volvulus 0.0227 0.0812 1
Echinococcus multilocularis tyrosine kinase 0.0227 0.0812 0.0803
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0127 0.0447 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.0812 0.0869
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0063 0.0053
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) 0.0079 0.0272 0.0484
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0008 0.000000000311
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0127 0.0447 0.0471
Loa Loa (eye worm) hypothetical protein 0.0079 0.0272 0.0279
Brugia malayi Glutamate receptor 1 precursor 0.2518 0.9171 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0227 0.0812 0.0869
Schistosoma mansoni glutamate receptor kainate 0.1115 0.4053 0.7596
Echinococcus multilocularis cpg binding protein 0.0031 0.0097 0.0087
Loa Loa (eye worm) hypothetical protein 0.1403 0.5101 0.5554
Loa Loa (eye worm) glutamate receptor 2 0.1115 0.4053 0.4409
Loa Loa (eye worm) hypothetical protein 0.1403 0.5101 0.5554
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0227 0.0812 0.0803
Echinococcus multilocularis glutamate receptor 2 0.2745 1 1
Brugia malayi Hypothetical 29.7 kDa protein C05D11.5 in chromosome III 0.0021 0.0059 0.0047
Loa Loa (eye worm) hypothetical protein 0.0227 0.0812 0.0869
Echinococcus granulosus glutamate receptor 4 0.1403 0.5101 0.5096
Echinococcus multilocularis NMDA receptor 0.0794 0.2879 0.2872
Schistosoma mansoni glutamate receptor kainate 0.1466 0.5332 1
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0063 0.127
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0016 0.0037
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0794 0.2879 0.2872
Loa Loa (eye worm) hypothetical protein 0.0227 0.0812 0.0869
Schistosoma mansoni metabotropic glutamate receptor 0.0227 0.0812 0.1507
Loa Loa (eye worm) hypothetical protein 0.0227 0.0812 0.0869
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0993 0.3605 0.3598
Plasmodium vivax DNA gyrase subunit A, putative 0.1224 0.4451 1
Giardia lamblia DNA topoisomerase II 0.0127 0.0447 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0008 0.000000000311
Echinococcus granulosus nmda type glutamate receptor 0.0227 0.0812 0.0803
Schistosoma mansoni DNA topoisomerase II 0.0127 0.0447 0.0821
Plasmodium falciparum DNA gyrase subunit A 0.1224 0.4451 1
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0199 0.0709 0.1479
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0127 0.0447 0.5154
Leishmania major mitochondrial DNA topoisomerase II 0.0127 0.0447 0.5357
Loa Loa (eye worm) glutamate receptor 0.0227 0.0812 0.0869
Loa Loa (eye worm) hypothetical protein 0.0227 0.0812 0.0869
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0054 0.0084
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0127 0.0447 0.5154
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0127 0.0447 0.0438
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.1224 0.4451 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0009 0.0016 0.0006
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.1693 0.6161 0.6157
Plasmodium falciparum apurinic/apyrimidinic endonuclease Apn1, putative 0.0079 0.0272 0.0576
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0584 0.2113 1
Chlamydia trachomatis DNA gyrase subunit A 0.0127 0.0447 0.042
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0017 0.0007
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0227 0.0812 0.0869
Onchocerca volvulus 0.0227 0.0812 1
Brugia malayi CXXC zinc finger family protein 0.003 0.0091 0.0082
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0212 0.038
Brugia malayi Probable DNA topoisomerase II 0.0127 0.0447 0.0471
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0227 0.0812 0.0803
Loa Loa (eye worm) hypothetical protein 0.0227 0.0812 0.0869
Trichomonas vaginalis DNA topoisomerase II, putative 0.0127 0.0447 1
Mycobacterium ulcerans endonuclease IV 0.0079 0.0272 0.0484
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0008 0.000000000311
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0047 0.0069
Schistosoma mansoni ATP-binding cassette transporter 0.1115 0.4053 0.7596
Schistosoma mansoni protein kinase 0.0227 0.0812 0.1507
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0127 0.0447 0.0471
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0227 0.0812 0.0869
Onchocerca volvulus 0.003 0.0091 0.0428
Entamoeba histolytica recQ family helicase, putative 0.0012 0.0026 0.032
Brugia malayi Guanylyl cyclase protein 23 0.0227 0.0812 0.0869
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0188 0.0422
Loa Loa (eye worm) RGC/RGC protein kinase 0.0227 0.0812 0.0869
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.1115 0.4053 0.4047
Echinococcus multilocularis nmda type glutamate receptor 0.0642 0.2325 0.2318
Loa Loa (eye worm) hypothetical protein 0.0227 0.0812 0.0869
Echinococcus multilocularis nmda type glutamate receptor 0.0227 0.0812 0.0803
Echinococcus granulosus receptor type guanylyl cyclase 0.0227 0.0812 0.0803
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0063 0.0052
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.1224 0.4451 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.0447 0.0471
Toxoplasma gondii endonuclease IV APN 0.0079 0.0272 0.061
Schistosoma mansoni cpg binding protein 0.0031 0.0097 0.0164
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0443 0.16 0.1591
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0008 0.000000000311
Brugia malayi Metabotropic glutamate receptor precursor. 0.0227 0.0812 0.0869
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.1693 0.6161 0.6157
Loa Loa (eye worm) glutamate receptor 1 0.2518 0.9171 1
Chlamydia trachomatis glutamine binding protein 0.0199 0.0709 0.1046
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0009 0.0016 0.0006
Echinococcus granulosus glutamate NMDA receptor subunit 0.1115 0.4053 0.4047
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0227 0.0812 0.0869
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0008 0.000000000311
Trypanosoma cruzi DNA topoisomerase II, putative 0.0127 0.0447 0.5357
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.1693 0.6161 0.6157
Entamoeba histolytica DNA topoisomerase II, putative 0.0127 0.0447 0.5506
Schistosoma mansoni tyrosine kinase 0.0227 0.0812 0.1507
Schistosoma mansoni hypothetical protein 0.0443 0.16 0.2987
Schistosoma mansoni metabotropic glutamate receptor 0.0227 0.0812 0.1507
Schistosoma mansoni cpg binding protein 0.003 0.0091 0.0153
Echinococcus multilocularis receptor type guanylyl cyclase 0.0227 0.0812 0.0803
Schistosoma mansoni DNA helicase recq5 0.0009 0.0016 0.0012
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.1224 0.4451 1
Echinococcus granulosus bloom syndrome protein 0.0022 0.0063 0.0053
Schistosoma mansoni glutamate receptor AMPA 0.1115 0.4053 0.7596
Schistosoma mansoni cpg binding protein 0.0031 0.0097 0.0164
Loa Loa (eye worm) TOPoisomerase family member 0.0127 0.0447 0.0471
Trypanosoma cruzi DNA topoisomerase II, putative 0.0127 0.0447 0.5357
Toxoplasma gondii DNA topoisomerase 2, putative 0.0127 0.0447 0.1004
Echinococcus multilocularis glutamate receptor subunit protein glur 0.1846 0.6718 0.6715
Leishmania major DNA topoisomerase ii 0.0127 0.0447 0.5357
Loa Loa (eye worm) RecQ helicase 0.0022 0.0063 0.0051
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0127 0.0447 0.5154
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0127 0.0447 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0091 0.0082
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0008 0.000000000311
Echinococcus granulosus tyrosine kinase 0.0227 0.0812 0.0803
Loa Loa (eye worm) RGC/RGC protein kinase 0.0227 0.0812 0.0869
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0008 0.000000000311
Echinococcus granulosus cpg binding protein 0.0031 0.0097 0.0087
Plasmodium vivax DNA topoisomerase II, putative 0.0127 0.0447 0.0928
Echinococcus granulosus metabotropic glutamate receptor 2 0.0227 0.0812 0.0803
Loa Loa (eye worm) hypothetical protein 0.0227 0.0812 0.0869
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0008 0.000000000311
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.1693 0.6161 0.6157
Brugia malayi Receptor family ligand binding region containing protein 0.0227 0.0812 0.0869
Trypanosoma cruzi extracellular receptor, putative 0.0227 0.0812 1
Schistosoma mansoni glutamate receptor NMDA 0.1343 0.4882 0.9153
Brugia malayi hypothetical protein 0.0227 0.0812 0.0869
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.1693 0.6161 0.6157
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0127 0.0447 0.5357
Echinococcus granulosus atrial natriuretic peptide receptor 0.0227 0.0812 0.0803
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.1224 0.4451 0.5
Loa Loa (eye worm) hypothetical protein 0.0127 0.0447 0.0471

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = -18 mmHg Hypotensive activity in concious rat 4 hr after 5 mg/kg p.o. administration. ChEMBL. 3941407
Activity (functional) = -6 mmHg Hypotensive activity in concious rat 24 hr after 5 mg/kg p.o. administration. ChEMBL. 3941407
Activity (functional) = -6 mmHg Compound was tested for hypotensive activity by measuring the average change in mean arterial blood pressure in mmHg after 4 hr at 0.5 mg/Kg oral dosing of a conscious rat ChEMBL. 3941407
Activity (functional) = -2 mmHg Compound was tested for hypotensive activity by measuring the average change in mean arterial blood pressure in mmHg after 24 hr at 0.5 mg/Kg oral dosing of a conscious rat ChEMBL. 3941407
Dose (functional) = 100 mg kg-1 Lowest dose of compound associated with clinical signs. ChEMBL. 3941407
Dose (functional) = 100 mg kg-1 Lowest dose of compound associated with clinical signs. ChEMBL. 3941407
Dose (functional) > 3160 mg kg-1 Lowest dose of compound associated with unacceptable clinical signs. ChEMBL. 3941407
Dose (functional) > 3160 mg kg-1 Lowest dose of compound associated with unacceptable clinical signs. ChEMBL. 3941407
LD50 (ADMET) > 3160 mg kg-1 Acute toxicity of the compound was determmined in mice ChEMBL. 3941407
LD50 (ADMET) > 3160 mg kg-1 Acute toxicity of the compound was determmined in mice ChEMBL. 3941407

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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