Detailed information for compound 718552

Basic information

Technical information
  • TDR Targets ID: 718552
  • Name: 3-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl )thiourea
  • MW: 284.348 | Formula: C12H10F2N2S2
  • H donors: 2 H acceptors: 0 LogP: 2.94 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1ccc(cc1F)F)NCc1cccs1
  • InChi: 1S/C12H10F2N2S2/c13-8-3-4-11(10(14)6-8)16-12(17)15-7-9-2-1-5-18-9/h1-6H,7H2,(H2,15,16,17)
  • InChiKey: DURZLBPIPBVNOX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2,4-difluorophenyl)-1-(2-thienylmethyl)thiourea
  • IVK/1104738
  • ZINC00089109

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
Entamoeba histolytica serine/threonine protein kinase, putative 0.0091 0.1427 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0091 0.1427 0.1423
Brugia malayi Carboxylesterase family protein 0.0132 0.2717 0.2276
Loa Loa (eye worm) hypothetical protein 0.0323 0.8788 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.1532 0.1447
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0091 0.1427 0.134
Loa Loa (eye worm) hypothetical protein 0.0132 0.2717 0.2926
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0091 0.1427 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0927 0.3413
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.1532 0.1447
Brugia malayi hypothetical protein 0.0323 0.8788 1
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.1427 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.1427 0.5251
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0132 0.2717 1
Giardia lamblia Kinase, PLK 0.0091 0.1427 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0927 0.5
Loa Loa (eye worm) hypothetical protein 0.0118 0.2288 0.2427
Brugia malayi Carboxylesterase family protein 0.0132 0.2717 0.2276
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0927 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1532 0.564
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1532 0.564
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0927 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.01 0.5
Trypanosoma brucei polo-like protein kinase 0.0091 0.1427 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0927 0.5
Echinococcus granulosus acetylcholinesterase 0.0132 0.2717 0.2643
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.1532 0.1546
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.1427 0.5
Echinococcus granulosus carboxylesterase 5A 0.0132 0.2717 0.2643
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.1427 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.1427 0.5
Loa Loa (eye worm) hypothetical protein 0.0132 0.2717 0.2926
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0091 0.1427 0.134
Brugia malayi hypothetical protein 0.0118 0.2288 0.1731
Echinococcus granulosus acetylcholinesterase 0.0132 0.2717 0.2643
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1532 0.564
Onchocerca volvulus 0.0323 0.8788 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.1532 0.077
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.1427 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0927 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.01 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0132 0.2717 0.2643
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.1427 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0927 0.5
Loa Loa (eye worm) carboxylesterase 0.0132 0.2717 0.2926
Loa Loa (eye worm) hypothetical protein 0.0118 0.2288 0.2427
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.1532 0.1447
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0927 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.1427 0.5
Onchocerca volvulus Huntingtin homolog 0.0118 0.2288 0.2427
Loa Loa (eye worm) acetylcholinesterase 1 0.0132 0.2717 0.2926
Loa Loa (eye worm) hypothetical protein 0.0076 0.0927 0.0841
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0927 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0205 0.0755
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0927 0.0836
Echinococcus multilocularis acetylcholinesterase 0.0132 0.2717 0.2643
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0927 0.5
Echinococcus multilocularis tumor protein p63 0.0361 1 1
Onchocerca volvulus Huntingtin homolog 0.0118 0.2288 0.2427
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0927 0.0836
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.1427 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0927 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.0927 0.5
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0091 0.1427 0.1423
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.1427 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.1532 0.1447
Echinococcus multilocularis acetylcholinesterase 0.0132 0.2717 0.2643
Brugia malayi serine/threonine-protein kinase plk-2 0.0091 0.1427 0.0635

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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