Detailed information for compound 1649319

Basic information

Technical information
  • TDR Targets ID: 1649319
  • Name: 1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)p yridin-2-yl]thiophen-2-yl]sulfonylguanidine
  • MW: 460.881 | Formula: C17H12ClF3N4O2S2
  • H donors: 2 H acceptors: 3 LogP: 4.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)/N=C(/NS(=O)(=O)c1ccc(s1)c1ncccc1C(F)(F)F)\N
  • InChi: 1S/C17H12ClF3N4O2S2/c18-10-3-5-11(6-4-10)24-16(22)25-29(26,27)14-8-7-13(28-14)15-12(17(19,20)21)2-1-9-23-15/h1-9H,(H3,22,24,25)
  • InChiKey: GWXTUZOGIBRIFK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-chlorophenyl)-2-[[5-[3-(trifluoromethyl)-2-pyridyl]-2-thienyl]sulfonyl]guanidine
  • 1-(4-chlorophenyl)-2-[5-[3-(trifluoromethyl)pyridin-2-yl]thiophen-2-yl]sulfonyl-guanidine
  • NCI60_038129
  • NSC707403

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
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.0227 0.0208
Echinococcus multilocularis lamin 0.0026 0.0047 0.0045
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0163 0.0503 0.1471
Echinococcus granulosus lamin 0.0026 0.0047 0.0045
Leishmania major hypothetical protein, conserved 0.008 0.0227 0.0632
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0208 0.0206
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0163 0.0503 0.0502
Brugia malayi Cathepsin L-like precursor 0.0018 0.002 0.004
Schistosoma mansoni lamin 0.0026 0.0047 0.0027
Loa Loa (eye worm) hypothetical protein 0.008 0.0227 0.0687
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.0227 0.0632
Loa Loa (eye worm) hypothetical protein 0.0163 0.0503 0.1522
Schistosoma mansoni lamin 0.0026 0.0047 0.0027
Leishmania major cathepsin L-like protease 0.0069 0.0189 0.0516
Brugia malayi Cathepsin L-like precursor 0.0018 0.002 0.004
Onchocerca volvulus Fumble homolog 0.1003 0.3307 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.002 0.004
Echinococcus granulosus cathepsin l1 0.0018 0.002 0.0018
Onchocerca volvulus 0.008 0.0227 0.0632
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.0227 0.0632
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0227 0.0632
Loa Loa (eye worm) hypothetical protein 0.008 0.0227 0.0687
Schistosoma mansoni intermediate filament proteins 0.0026 0.0047 0.0027
Trypanosoma cruzi pantothenate kinase subunit, putative 0.1003 0.3307 1
Onchocerca volvulus 0.0146 0.0448 0.1303
Loa Loa (eye worm) hypothetical protein 0.0146 0.0448 0.1355
Leishmania major pantothenate kinase subunit, putative 0.1003 0.3307 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0227 0.0687
Loa Loa (eye worm) hypothetical protein 0.008 0.0227 0.0687
Trypanosoma brucei pantothenate kinase subunit, putative 0.1003 0.3307 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0163 0.0503 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.002 0.0018
Plasmodium falciparum pantothenate kinase 1, putative 0.1003 0.3307 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.008 0.0227 0.0226
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0163 0.0503 0.0502
Schistosoma mansoni microtubule-associated protein tau 0.3008 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0227 0.0632
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.002 0.0018
Brugia malayi MH2 domain containing protein 0.0116 0.0345 0.1027
Plasmodium vivax hypothetical protein, conserved 0.008 0.0227 0.0632
Trypanosoma cruzi pantothenate kinase subunit, putative 0.1003 0.3307 1
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0208 0.0189
Loa Loa (eye worm) pantothenate kinase 0.1003 0.3307 1
Toxoplasma gondii pantothenate kinase 0.0424 0.1373 0.4118
Trichomonas vaginalis pantothenate kinase, putative 0.1003 0.3307 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.002 0.004
Entamoeba histolytica hypothetical protein 0.0074 0.0208 0.0573
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0513 0.1672 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0107 0.0316 0.0612
Echinococcus granulosus intermediate filament protein 0.0026 0.0047 0.0045
Loa Loa (eye worm) hypothetical protein 0.0026 0.0047 0.0142
Echinococcus multilocularis musashi 0.0026 0.0047 0.0045
Onchocerca volvulus 0.008 0.0227 0.0632
Schistosoma mansoni pantothenate kinase 0.1003 0.3307 0.3294
Echinococcus multilocularis microtubule associated protein 2 0.3008 1 1
Toxoplasma gondii fumble protein 0.1003 0.3307 1
Trichomonas vaginalis pantothenate kinase, putative 0.1003 0.3307 1
Brugia malayi pantothenate kinase family protein 0.1003 0.3307 1
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0189 0.0516
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0047 0.0124
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.002 0.0018
Trypanosoma brucei hypothetical protein, conserved 0.008 0.0227 0.0122
Leishmania major cathepsin L-like protease 0.0069 0.0189 0.0516
Mycobacterium leprae conserved hypothetical protein 0.008 0.0227 0.2262
Schistosoma mansoni pantothenate kinase 0.1003 0.3307 0.3294
Brugia malayi hypothetical protein 0.0146 0.0448 0.1338
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0163 0.0503 0.5
Brugia malayi Probable ClpP-like protease 0.0163 0.0503 0.1506
Schistosoma mansoni peptidase Clp (S14 family) 0.0163 0.0503 0.0485
Schistosoma mansoni hypothetical protein 0.0074 0.0208 0.0189
Trichomonas vaginalis conserved hypothetical protein 0.0579 0.1893 0.5698
Echinococcus granulosus pantothenate kinase 4 0.1003 0.3307 0.3306
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.0227 0.0208
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0163 0.0503 1
Onchocerca volvulus 0.008 0.0227 0.0632
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.002 0.0059
Onchocerca volvulus 0.0026 0.0047 0.0083
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.0227 0.0632
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.002 0.0059
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.008 0.0227 0.0687
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0189 0.0516
Loa Loa (eye worm) hypothetical protein 0.0026 0.0045 0.0137
Plasmodium falciparum pantothenate kinase 2, putative 0.0424 0.1373 0.4118
Trichomonas vaginalis pantothenate kinase, putative 0.1003 0.3307 1
Entamoeba histolytica hypothetical protein 0.0074 0.0208 0.0573
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0047 0.0142
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0163 0.0503 0.1471
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0227 0.0632
Giardia lamblia Pantothenate kinase 4 0.1003 0.3307 0.5
Entamoeba histolytica hypothetical protein 0.0074 0.0208 0.0573
Echinococcus granulosus beta LACTamase domain containing family member 0.008 0.0227 0.0226
Brugia malayi beta-lactamase family protein 0.008 0.0227 0.067
Mycobacterium leprae Probable lipase LipE 0.008 0.0227 0.2262
Brugia malayi intermediate filament protein 0.0026 0.0047 0.0124
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0163 0.0503 1
Entamoeba histolytica hypothetical protein 0.0074 0.0208 0.0573
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.002 0.004
Trichomonas vaginalis pantothenate kinase, putative 0.1003 0.3307 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0047 0.0142
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0063 0.0169 0.0456
Entamoeba histolytica pantothenate kinase 1, putative 0.1003 0.3307 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.002 0.004
Onchocerca volvulus 0.0026 0.0047 0.0083
Plasmodium vivax hypothetical protein, conserved 0.0424 0.1373 0.4118
Toxoplasma gondii ABC1 family protein 0.008 0.0227 0.0632
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.002 0.0018
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0107 0.0316 0.4744
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.0227 0.0632
Echinococcus multilocularis cysteine protease 0.0018 0.002 0.0018
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0163 0.0503 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0054 0.014 0.0367
Echinococcus granulosus lamin dm0 0.0026 0.0047 0.0045
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.002 0.0018
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0163 0.0503 1
Trichomonas vaginalis esterase, putative 0.008 0.0227 0.0632
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0006 0.0019
Brugia malayi hypothetical protein 0.0074 0.0208 0.0611
Leishmania major cathepsin L-like protease 0.0069 0.0189 0.0516
Brugia malayi beta-lactamase family protein 0.008 0.0227 0.067
Loa Loa (eye worm) cysteine protease 0.0018 0.002 0.0059
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0107 0.0316 0.0612
Plasmodium vivax pantothenate kinase, putative 0.1003 0.3307 1
Trypanosoma cruzi cruzipain precursor, putative 0.0069 0.0189 0.0516
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0189 0.0516
Echinococcus multilocularis pantothenate kinase 4 0.1003 0.3307 0.3306
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0345 0.1044
Loa Loa (eye worm) hypothetical protein 0.008 0.0227 0.0687
Echinococcus granulosus peptidase Clp S14 family 0.0107 0.0316 0.0314
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0056 0.0147 0.0386
Loa Loa (eye worm) ctsf protein 0.0018 0.002 0.0059
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.008 0.0227 0.067
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0163 0.0503 0.1471
Loa Loa (eye worm) hypothetical protein 0.0013 0.0002 0.0005
Loa Loa (eye worm) beta-lactamase 0.008 0.0227 0.0687
Echinococcus multilocularis peptidase Clp (S14 family) 0.0107 0.0316 0.0314
Echinococcus multilocularis cysteine protease 0.0018 0.002 0.0018
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0163 0.0503 0.1471
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0056 0.0147 0.0386
Trichomonas vaginalis pantothenate kinase, putative 0.1003 0.3307 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.002 0.0018
Echinococcus multilocularis lamin dm0 0.0026 0.0047 0.0045
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0345 0.1044
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0163 0.0503 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0208 0.0206
Toxoplasma gondii hypothetical protein 0.0056 0.0147 0.0386
Loa Loa (eye worm) hypothetical protein 0.0018 0.002 0.0059
Brugia malayi beta-lactamase 0.008 0.0227 0.067
Brugia malayi Cathepsin L-like precursor 0.0018 0.002 0.004
Loa Loa (eye worm) fibroinase 0.0018 0.002 0.0059
Loa Loa (eye worm) hypothetical protein 0.008 0.0227 0.0687

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.871 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.833 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.817 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.817 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.806 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.795 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.768 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.765 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.765 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.689 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.588 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) 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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