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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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