Detailed information for compound 649722

Basic information

Technical information
  • TDR Targets ID: 649722
  • Name: 4-(3-chlorophenyl)-N-(2-methylphenyl)piperazi ne-1-carbothioamide
  • MW: 345.89 | Formula: C18H20ClN3S
  • H donors: 1 H acceptors: 0 LogP: 4.29 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)N1CCN(CC1)C(=S)Nc1ccccc1C
  • InChi: 1S/C18H20ClN3S/c1-14-5-2-3-8-17(14)20-18(23)22-11-9-21(10-12-22)16-7-4-6-15(19)13-16/h2-8,13H,9-12H2,1H3,(H,20,23)
  • InChiKey: LJWMAABKXDMCJU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(3-chlorophenyl)-N-(2-methylphenyl)-1-piperazinecarbothioamide
  • Oprea1_005557
  • ZINC00408272
  • BIM-0034065.P001
  • CBMicro_033972
  • ST5426776

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 neutral alpha glucosidase AB 0.0036 0.0414 0.0292
Onchocerca volvulus 0.0021 0.0146 0.0477
Schistosoma mansoni rab6-interacting 0.0041 0.0512 0.0372
Loa Loa (eye worm) hypothetical protein 0.0074 0.1133 0.1133
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0414 0.0443
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0414 0.0414
Leishmania major hypothetical protein, conserved 0.0021 0.0146 0.0149
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0414 0.0443
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0414 0.0414
Echinococcus granulosus RUN 0.0041 0.0512 0.0398
Loa Loa (eye worm) hypothetical protein 0.0074 0.1133 0.1133
Loa Loa (eye worm) oxidoreductase 0.0021 0.0146 0.0146
Onchocerca volvulus 0.0021 0.0146 0.0477
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.1133 0.1002
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0244 0.4285 0.4285
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.1133 0.1002
Mycobacterium ulcerans glutaminase 0.0553 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0197 0.0197
Mycobacterium leprae conserved hypothetical protein 0.0074 0.1133 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0041 0.0512 0.0398
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.2729 0.2807
Loa Loa (eye worm) doublecortin family protein 0.0041 0.0512 0.0512
Loa Loa (eye worm) glutaminase 2 0.0553 1 1
Brugia malayi beta-lactamase family protein 0.0074 0.1133 0.1133
Leishmania major udp-glc 4-epimerase, putative 0.0539 0.9741 1
Plasmodium falciparum LCCL domain-containing protein 0.0041 0.0512 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.1133 0.1133
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0475 0.8562 1
Brugia malayi beta-lactamase family protein 0.0074 0.1133 0.1133
Loa Loa (eye worm) hypothetical protein 0.0074 0.1133 0.1133
Brugia malayi N-terminal motif family protein 0.0178 0.3053 0.3053
Schistosoma mansoni polycystin 1-related 0.0041 0.0512 0.0372
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0194 0.3342 0.3472
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0194 0.3342 0.3243
Brugia malayi Doublecortin family protein 0.0041 0.0512 0.0512
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.2729 0.2807
Schistosoma mansoni UDP-glucose 4-epimerase 0.0518 0.935 0.934
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0021 0.0146 0.0146
Schistosoma mansoni lipoxygenase 0.0106 0.1718 0.1596
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.1133 0.1173
Onchocerca volvulus 0.0074 0.1133 0.371
Trypanosoma cruzi NAD dependent epimerase/dehydratase family, putative 0.0021 0.0146 0.0156
Loa Loa (eye worm) beta-lactamase 0.0074 0.1133 0.1133
Trypanosoma brucei glucosidase, putative 0.0036 0.0414 0.0425
Schistosoma mansoni alpha glucosidase 0.0036 0.0414 0.0273
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0414 0.0414
Trichomonas vaginalis esterase, putative 0.0074 0.1133 0.1133
Echinococcus granulosus Polycystic kidney disease protein 0.0041 0.0512 0.0398
Trichomonas vaginalis dihydroflavonal-4-reductase, putative 0.0021 0.0146 0.0146
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.1133 0.1133
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0021 0.0146 0.0146
Schistosoma mansoni loxhd1 0.0041 0.0512 0.0372
Trypanosoma brucei UDP-galactose 4-epimerase 0.0539 0.9741 1
Brugia malayi follicle stimulating hormone receptor 0.0244 0.4285 0.4285
Onchocerca volvulus 0.0074 0.1133 0.371
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0518 0.935 1
Schistosoma mansoni lipoxygenase 0.018 0.3083 0.298
Schistosoma mansoni rab6-interacting 0.0041 0.0512 0.0372
Schistosoma mansoni alpha-glucosidase 0.0138 0.2314 0.2201
Trypanosoma brucei NAD dependent epimerase/dehydratase family, putative 0.0021 0.0146 0.0149
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.1133 0.1133
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.1133 0.1173
Entamoeba histolytica hypothetical protein, conserved 0.0021 0.0146 0.0156
Echinococcus granulosus UDP glucose 4 epimerase 0.0518 0.935 1
Brugia malayi hypothetical protein 0.0041 0.0512 0.0512
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.1133 0.1133
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0021 0.0146 0.0146
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 27 0.0021 0.0146 0.0156
Mycobacterium ulcerans beta-lactamase 0.0074 0.1133 0.1002
Brugia malayi hypothetical protein 0.0041 0.0512 0.0512
Loa Loa (eye worm) hypothetical protein 0.0041 0.0512 0.0512
Mycobacterium tuberculosis Conserved protein 0.0074 0.1133 0.1173
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0518 0.935 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0414 0.0443
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0414 0.0443
Brugia malayi NAD dependent epimerase/dehydratase family protein 0.0021 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0041 0.0512 0.0512
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0414 0.0414
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0021 0.0146 0.0146
Brugia malayi UDP galactose 4'-epimerase 0.0518 0.935 0.935
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0194 0.3342 0.3243
Trypanosoma cruzi NAD dependent epimerase/dehydratase family, putative 0.0021 0.0146 0.0156
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0414 0.0292
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.1133 0.1173
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0021 0.0146 0.0146
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.1133 0.1133
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0414 0.0414
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.1133 0.1002
Mycobacterium tuberculosis Conserved protein 0.0074 0.1133 0.1173
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0414 0.0414
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.2729 0.2729
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.1133 0.1133
Echinococcus multilocularis UDP glucose 4 epimerase 0.0518 0.935 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0146 0.0146
Plasmodium vivax multidomain scavenger receptor, putative 0.0041 0.0512 0.3714
Brugia malayi beta-lactamase 0.0074 0.1133 0.1133
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.1133 0.1173
Giardia lamblia UDP-glucose 4-epimerase 0.0539 0.9741 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.1133 0.1073
Trypanosoma cruzi GDP-L-fucose synthetase, putative 0.0021 0.0146 0.0156
Wolbachia endosymbiont of Brugia malayi nucleoside-diphosphate-sugar epimerase 0.0021 0.0146 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0146 0.0146
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.018 0.3083 0.3191
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.0512 0.0398
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0414 0.0414
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0518 0.935 0.935
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0146 0.0146
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.1133 0.1163
Echinococcus multilocularis lipoxygenase domain containing protein 0.0041 0.0512 0.0398
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0146 0.0156
Entamoeba histolytica hypothetical protein, conserved 0.0021 0.0146 0.0156
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0194 0.3342 0.3472
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.1133 0.1173
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0518 0.935 1
Brugia malayi GDP-L-fucose synthetase 0.0021 0.0146 0.0146
Trypanosoma cruzi GDP-mannose 4,6 dehydratase, putative 0.0021 0.0146 0.0156
Schistosoma mansoni alpha-glucosidase 0.0138 0.2314 0.2201
Onchocerca volvulus 0.0021 0.0146 0.0477
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.1133 0.1173
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.1133 0.1073
Loa Loa (eye worm) glutaminase 0.0553 1 1
Trypanosoma cruzi L-threonine 3-dehydrogenase, putative 0.0021 0.0146 0.0156
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0414 0.0292
Echinococcus multilocularis RUN 0.0041 0.0512 0.0398
Mycobacterium tuberculosis Conserved protein 0.0074 0.1133 0.1173
Toxoplasma gondii UDP-glucose 4-epimerase 0.0518 0.935 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1133 0.1133
Leishmania major hypothetical protein, conserved 0.0074 0.1133 0.1163
Loa Loa (eye worm) hypothetical protein 0.0074 0.1133 0.1133
Echinococcus granulosus arachidonate 5 lipoxygenase 0.018 0.3083 0.3191
Loa Loa (eye worm) hypothetical protein 0.0178 0.3053 0.3053
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.1133 0.1173
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0194 0.3342 0.3472
Mycobacterium ulcerans lipase LipD 0.0074 0.1133 0.1002
Onchocerca volvulus 0.0074 0.1133 0.371
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0414 0.0414
Schistosoma mansoni hypothetical protein 0.0041 0.0512 0.0372
Echinococcus multilocularis lipoxygenase domain containing protein 0.0041 0.0512 0.0398
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.1133 0.1002
Brugia malayi Cytochrome P450 family protein 0.0024 0.0197 0.0197
Onchocerca volvulus 0.0041 0.0512 0.1678
Trypanosoma brucei GDP-L-fucose synthetase 0.0021 0.0146 0.0149
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.2729 0.2807
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0146 0.0156
Schistosoma mansoni glutaminase 0.0553 1 1
Brugia malayi epimerase/reductase 0.0021 0.0146 0.0146
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0178 0.3053 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0414 0.0414
Toxoplasma gondii ABC1 family protein 0.0074 0.1133 0.1073
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0194 0.3342 0.3342
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0194 0.3342 0.3342
Mycobacterium ulcerans hypothetical protein 0.0074 0.1133 0.1002
Trichomonas vaginalis glutaminase, putative 0.0553 1 1
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0021 0.0146 0.0146
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.1133 0.1133
Trypanosoma cruzi hypothetical protein 0.0021 0.0146 0.0156
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0518 0.935 0.935
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0518 0.935 0.935
Onchocerca volvulus 0.0041 0.0512 0.1678
Trypanosoma cruzi L-threonine 3-dehydrogenase, putative 0.0021 0.0146 0.0156
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.0512 0.0398
Onchocerca volvulus 0.0093 0.1475 0.4829
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0021 0.0146 0.0146
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0146 0.0156
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0414 0.0414
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.2729 0.2729
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0414 0.0425
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.1133 0.1212
Trypanosoma brucei NAD dependent epimerase/dehydratase family, putative 0.0021 0.0146 0.0149
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0414 0.0414
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0518 0.935 0.935
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0194 0.3342 0.3243
Loa Loa (eye worm) hypothetical protein 0.0074 0.1133 0.1133
Plasmodium vivax hypothetical protein, conserved 0.0074 0.1133 1
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.1133 0.1212
Mycobacterium leprae Probable lipase LipE 0.0074 0.1133 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0194 0.3342 0.3472
Onchocerca volvulus 0.0021 0.0146 0.0477
Trypanosoma brucei L-threonine 3-dehydrogenase 0.0021 0.0146 0.0149

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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