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

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

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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