Detailed information for compound 739509

Basic information

Technical information
  • TDR Targets ID: 739509
  • Name: methyl 2-(2,4-diaminophenyl)sulfanylbenzoate
  • MW: 274.338 | Formula: C14H14N2O2S
  • H donors: 2 H acceptors: 1 LogP: 2.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccccc1Sc1ccc(cc1N)N
  • InChi: 1S/C14H14N2O2S/c1-18-14(17)10-4-2-3-5-12(10)19-13-7-6-9(15)8-11(13)16/h2-8H,15-16H2,1H3
  • InChiKey: VUWWXFIQLKGYOO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(2,4-diaminophenyl)thio]benzoic acid methyl ester
  • A3868/0164336
  • ZINC04624142

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 hypothetical protein 0.0165 0.4672 0.489
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.015 0.4113 0.4019
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0544 0.0759
Trypanosoma brucei RNA helicase, putative 0.0135 0.3594 0.3492
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.1983 0.3247
Toxoplasma gondii hypothetical protein 0.0051 0.0626 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0316 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0166 0.4711 0.5
Brugia malayi mbt repeat family protein 0.005 0.0589 0.0821
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0589 0.0767
Loa Loa (eye worm) MBCTL1 0.0057 0.0833 0.1161
Loa Loa (eye worm) RNA binding protein 0.0126 0.3272 0.4559
Brugia malayi hypothetical protein 0.0071 0.1351 0.1883
Brugia malayi mbt repeat family protein 0.005 0.0589 0.0821
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0158 0.0165
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0544 0.0759
Onchocerca volvulus Huntingtin homolog 0.0128 0.3357 0.8024
Loa Loa (eye worm) hypothetical protein 0.0128 0.3357 0.4678
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.1983 0.3247
Echinococcus granulosus geminin 0.0165 0.4672 0.803
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3272 0.3425
Echinococcus multilocularis tar DNA binding protein 0.0126 0.3272 0.5539
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0236 0.7177 1
Brugia malayi hypothetical protein 0.0148 0.4039 0.5628
Loa Loa (eye worm) TAR-binding protein 0.0126 0.3272 0.4559
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.1983 0.2763
Entamoeba histolytica hypothetical protein 0.0071 0.1351 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0833 0.1161
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0544 0.0759
Loa Loa (eye worm) hypothetical protein 0.0049 0.0544 0.0759
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0833 0.1202
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.015 0.4113 0.4019
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0833 0.1202
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0158 0.0165
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.1983 0.2763
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.0158 0.5
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0589 0.0616
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3272 0.3425
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.015 0.4113 0.4019
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0589 0.0767
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0197 0.578 1
Schistosoma mansoni hypothetical protein 0.0135 0.3594 0.3762
Echinococcus multilocularis geminin 0.0165 0.4672 0.803
Echinococcus granulosus tar DNA binding protein 0.0126 0.3272 0.5539
Onchocerca volvulus Huntingtin homolog 0.0128 0.3357 0.8024
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.1351 0.2123
Brugia malayi hypothetical protein 0.0128 0.3357 0.4678
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0395 0.0242
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0158 0.0219
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0589 0.0767
Brugia malayi follicle stimulating hormone receptor 0.0236 0.7177 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.1983 0.2075
Schistosoma mansoni hypothetical protein 0.0071 0.1351 0.1414
Entamoeba histolytica hypothetical protein 0.0071 0.1351 1
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.1351 0.1414
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0316 1 1
Schistosoma mansoni hypothetical protein 0.0165 0.4672 0.489
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0158 0.5
Brugia malayi RNA binding protein 0.0126 0.3272 0.4559
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.1983 0.2075
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.3272 0.4559
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0589 0.0767
Entamoeba histolytica hypothetical protein 0.0071 0.1351 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.4039 0.5628
Entamoeba histolytica hypothetical protein 0.0071 0.1351 1
Brugia malayi TAR-binding protein 0.0126 0.3272 0.4559
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0316 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0395 0.0242
Onchocerca volvulus 0.0148 0.4039 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0589 0.0821
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3272 0.3425
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3272 0.3425
Loa Loa (eye worm) hypothetical protein 0.0057 0.0833 0.1161
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0395 0.0242
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.1351 0.2123
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0197 0.578 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0158 0.0219
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3272 0.3425
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0833 0.1202
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0589 0.0821
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0833 0.0872
Loa Loa (eye worm) hypothetical protein 0.0128 0.3357 0.4678
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0833 0.1202
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.1983 0.2075
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0589 0.0616
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0395 0.0242
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0158 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0589 0.0616
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.1983 0.3247
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.0739 0.0591
Schistosoma mansoni hypothetical protein 0.0303 0.9554 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.1983 0.3247
Mycobacterium ulcerans hypothetical protein 0.0166 0.4711 0.5
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0158 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.3272 0.4559

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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