Detailed information for compound 905334

Basic information

Technical information
  • TDR Targets ID: 905334
  • Name: methyl 2-[[4-(2-hydroxyphenyl)piperazine-1-ca rbothioyl]amino]benzoate
  • MW: 371.453 | Formula: C19H21N3O3S
  • H donors: 2 H acceptors: 2 LogP: 3.35 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccccc1NC(=S)N1CCN(CC1)c1ccccc1O
  • InChi: 1S/C19H21N3O3S/c1-25-18(24)14-6-2-3-7-15(14)20-19(26)22-12-10-21(11-13-22)16-8-4-5-9-17(16)23/h2-9,23H,10-13H2,1H3,(H,20,26)
  • InChiKey: VGMWQKJGKKAIRJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[[4-(2-hydroxyphenyl)-1-piperazinyl]-thioxomethyl]amino]benzoic acid methyl ester
  • 2-[[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester
  • methyl 2-[[4-(2-hydroxyphenyl)piperazin-1-yl]carbothioylamino]benzoate
  • Oprea1_422625

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 methionine-tRNA synthetase 0.0286 0.3697 0.8082
Brugia malayi MH2 domain containing protein 0.005 0.0389 0.0389
Echinococcus granulosus GPCR family 2 0.0161 0.1949 0.5271
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0111 0.1243 0.3362
Echinococcus granulosus TGF beta signal transducer SmadC 0.005 0.0389 0.1051
Loa Loa (eye worm) hypothetical protein 0.051 0.6837 0.6837
Brugia malayi hypothetical protein 0.0132 0.1538 0.1538
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0411 0.0948
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0286 0.3697 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0111 0.1243 0.3362
Plasmodium vivax hypothetical protein, conserved 0.0109 0.1217 0.3168
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0111 0.1243 0.3362
Echinococcus multilocularis tar DNA binding protein 0.0132 0.154 0.4164
Brugia malayi TAR-binding protein 0.0132 0.154 0.154
Brugia malayi Isocitrate dehydrogenase 0.0111 0.1243 0.1243
Loa Loa (eye worm) latrophilin receptor protein 2 0.0161 0.1949 0.1949
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0161 0.1949 0.5271
Brugia malayi Smad1 0.005 0.0389 0.0389
Chlamydia trachomatis leucine--tRNA ligase 0.0109 0.1217 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0183 0.2249 1
Brugia malayi isocitrate dehydrogenase 0.0111 0.1243 0.1243
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0132 0.154 0.154
Toxoplasma gondii tRNA ligases class I (M) protein 0.0109 0.1217 0.3168
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0792 0.1998
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0109 0.1217 0.1463
Trypanosoma cruzi PAB1-binding protein , putative 0.0132 0.1538 0.1202
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0286 0.3697 1
Echinococcus granulosus tar DNA binding protein 0.0132 0.154 0.4164
Brugia malayi MH1 domain containing protein 0.005 0.0389 0.0389
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0161 0.1949 0.5271
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0111 0.1243 0.2717
Brugia malayi Probable ClpP-like protease 0.0079 0.0792 0.0792
Treponema pallidum leucyl-tRNA synthetase 0.0109 0.1217 1
Brugia malayi latrophilin 2 splice variant baaae 0.0348 0.4575 0.4575
Schistosoma mansoni tar DNA-binding protein 0.0132 0.154 0.3365
Schistosoma mansoni hypothetical protein 0.0161 0.1949 0.426
Brugia malayi MH1 domain containing protein 0.005 0.0389 0.0389
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0792 0.1998
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0286 0.3697 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0111 0.1243 0.3239
Loa Loa (eye worm) nuclear factor I 0.0028 0.0075 0.0075
Schistosoma mansoni leucyl-tRNA synthetase 0.0109 0.1217 0.2661
Echinococcus multilocularis isocitrate dehydrogenase 0.0111 0.1243 0.3362
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0177 0.2166 0.2166
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.051 0.6837 0.6837
Loa Loa (eye worm) hypothetical protein 0.0028 0.0075 0.0075
Loa Loa (eye worm) TAR-binding protein 0.0132 0.154 0.154
Echinococcus granulosus methionine tRNA synthetase 0.0286 0.3697 1
Plasmodium vivax methionine--tRNA ligase, putative 0.0286 0.3697 1
Brugia malayi protein ZK524.3 0.0109 0.1217 0.1217
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0109 0.1217 0.3292
Plasmodium falciparum ataxin-2 like protein, putative 0.0132 0.1538 0.4052
Brugia malayi MH1 domain containing protein 0.0028 0.0075 0.0075
Schistosoma mansoni hypothetical protein 0.0059 0.0517 0.1129
Brugia malayi Latrophilin receptor protein 2 0.0161 0.1949 0.1949
Loa Loa (eye worm) hypothetical protein 0.0109 0.1217 0.1217
Echinococcus granulosus Smad4 0.005 0.0389 0.1051
Loa Loa (eye worm) Smad1 0.005 0.0389 0.0389
Trypanosoma cruzi PAB1-binding protein , putative 0.0132 0.1538 0.1202
Leishmania major methionyl-tRNA synthetase, putative 0.0286 0.3697 1
Brugia malayi N-terminal motif family protein 0.0183 0.2249 0.2249
Toxoplasma gondii isocitrate dehydrogenase 0.0111 0.1243 0.3239
Brugia malayi RNA recognition motif domain containing protein 0.0132 0.154 0.154
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0111 0.1243 0.0104
Onchocerca volvulus 0.0177 0.2166 0.9633
Loa Loa (eye worm) MH1 domain-containing protein 0.005 0.0389 0.0389
Plasmodium vivax methionine--tRNA ligase, putative 0.0109 0.1217 0.3168
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0161 0.1949 0.5271
Loa Loa (eye worm) MH2 domain-containing protein 0.0735 1 1
Brugia malayi MH1 domain containing protein 0.0028 0.0075 0.0075
Schistosoma mansoni hypothetical protein 0.0161 0.1949 0.426
Toxoplasma gondii isocitrate dehydrogenase 0.0111 0.1243 0.3239
Schistosoma mansoni smad1 5 8 and 0.005 0.0389 0.085
Loa Loa (eye worm) hypothetical protein 0.0183 0.2249 0.2249
Echinococcus multilocularis leucyl tRNA synthetase 0.0109 0.1217 0.3292
Loa Loa (eye worm) hypothetical protein 0.0161 0.1949 0.1949
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0111 0.1243 0.3362
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0286 0.3697 1
Schistosoma mansoni tar DNA-binding protein 0.0132 0.154 0.3365
Loa Loa (eye worm) hypothetical protein 0.0109 0.1217 0.1217
Schistosoma mansoni hypothetical protein 0.0161 0.1949 0.426
Brugia malayi hypothetical protein 0.0085 0.0882 0.0882
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0161 0.1949 0.1949
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0792 0.6306
Echinococcus multilocularis methionine tRNA synthetase 0.0286 0.3697 1
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0286 0.3697 1
Schistosoma mansoni smad1 5 8 and 0.005 0.0389 0.085
Toxoplasma gondii methionyl-tRNA synthetase 0.0286 0.3697 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0111 0.1243 0.1243
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0111 0.1243 0.2531
Loa Loa (eye worm) hypothetical protein 0.0132 0.1538 0.1538
Schistosoma mansoni tar DNA-binding protein 0.0132 0.154 0.3365
Brugia malayi MH2 domain containing protein 0.005 0.0389 0.0389
Echinococcus granulosus smad 0.005 0.0389 0.1051
Schistosoma mansoni tar DNA-binding protein 0.0132 0.154 0.3365
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.0792 0.1998
Schistosoma mansoni smad1 5 8 and 0.005 0.0389 0.085
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0411 0.1112
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0059 0.0517 0.1397
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0792 0.2143
Echinococcus multilocularis Smad4 0.005 0.0389 0.1051
Toxoplasma gondii LsmAD domain-containing protein 0.0132 0.1538 0.4052
Loa Loa (eye worm) MH2 domain-containing protein 0.005 0.0389 0.0389
Echinococcus granulosus mothers against decapentaplegic 5 0.005 0.0389 0.1051
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0411 0.1112
Leishmania major hypothetical protein, conserved 0.0132 0.1538 0.1294
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0792 0.2143
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0286 0.3697 1
Chlamydia trachomatis methionine--tRNA ligase 0.0109 0.1217 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.005 0.0389 0.085
Loa Loa (eye worm) transcription factor SMAD2 0.0735 1 1
Schistosoma mansoni tar DNA-binding protein 0.0132 0.154 0.3365
Brugia malayi methionyl-tRNA synthetase 0.0109 0.1217 0.1217
Loa Loa (eye worm) hypothetical protein 0.0109 0.1217 0.1217
Brugia malayi Calcitonin receptor-like protein seb-1 0.051 0.6837 0.6837
Schistosoma mansoni methionine-tRNA synthetase 0.0109 0.1217 0.2661
Echinococcus multilocularis GPCR, family 2 0.0161 0.1949 0.5271
Plasmodium falciparum ataxin-2 like protein, putative 0.0132 0.1538 0.4052
Loa Loa (eye worm) hypothetical protein 0.0079 0.0792 0.0792
Loa Loa (eye worm) pigment dispersing factor receptor c 0.051 0.6837 0.6837
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0109 0.1217 0.5
Plasmodium falciparum methionine--tRNA ligase, putative 0.0109 0.1217 0.3168
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0111 0.1243 0.3362
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0792 0.1732
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0109 0.1217 0.3292
Echinococcus multilocularis mothers against decapentaplegic 5 0.005 0.0389 0.1051
Schistosoma mansoni hypothetical protein 0.0348 0.4575 1
Schistosoma mansoni smad 0.005 0.0389 0.085
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0109 0.1217 0.1463
Schistosoma mansoni Smad4 0.005 0.0389 0.085
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0286 0.3697 0.3697
Brugia malayi methionyl-tRNA synthetase 0.0286 0.3697 0.3697
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0111 0.1243 0.3239
Echinococcus multilocularis smad 0.005 0.0389 0.1051
Loa Loa (eye worm) RNA binding protein 0.0132 0.154 0.154
Echinococcus multilocularis TGF beta signal transducer SmadC 0.005 0.0389 0.1051
Brugia malayi RNA binding protein 0.0132 0.154 0.154
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0059 0.0517 0.1397
Treponema pallidum methionyl-tRNA synthetase 0.0109 0.1217 1
Plasmodium falciparum methionine--tRNA ligase 0.0286 0.3697 1
Loa Loa (eye worm) hypothetical protein 0.0348 0.4575 0.4575
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0286 0.3697 0.5
Schistosoma mansoni hypothetical protein 0.0161 0.1949 0.426
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0792 0.1998
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0161 0.1949 0.5271
Trypanosoma brucei PAB1-binding protein , putative 0.0132 0.1538 0.1202
Plasmodium vivax ataxin-2 like protein, putative 0.0132 0.1538 0.4052
Giardia lamblia Methionyl-tRNA synthetase 0.0286 0.3697 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0792 0.1998

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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