Detailed information for compound 1814815

Basic information

Technical information
  • TDR Targets ID: 1814815
  • Name: [(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl ideneamino]thiourea
  • MW: 327.427 | Formula: C15H13N5S2
  • H donors: 2 H acceptors: 1 LogP: 2.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=S)N/N=C\c1cn(nc1c1cccs1)c1ccccc1
  • InChi: 1S/C15H13N5S2/c16-15(21)18-17-9-11-10-20(12-5-2-1-3-6-12)19-14(11)13-7-4-8-22-13/h1-10H,(H3,16,18,21)/b17-9-
  • InChiKey: QBKKUSGHAYXOHD-MFOYZWKCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]thiourea
  • [[1-phenyl-3-(2-thienyl)-4-pyrazolyl]methyleneamino]thiourea
  • [(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]thiourea
  • ZINC03066268

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
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0354 0.1623 0.4313
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0458 0.2528 1
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0435 0.2324 1
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0435 0.2324 1
Loa Loa (eye worm) hypothetical protein 0.0269 0.0889 0.4829
Plasmodium vivax hypothetical protein, conserved 0.0354 0.1623 0.6984
Schistosoma mansoni caspase-7 (C14 family) 0.0354 0.1623 0.1448
Echinococcus granulosus transitional endoplasmic reticulum atpase 0.0458 0.2528 0.108
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0354 0.1623 0.1448
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0435 0.2324 0.2164
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0354 0.1623 0.4313
Echinococcus granulosus caspase 3 0.0969 0.6943 0.635
Echinococcus multilocularis caspase 8 0.0354 0.1623 0.1448
Echinococcus multilocularis caspase 2 0.0354 0.1623 0.1448
Entamoeba histolytica cdc48-like protein, putative 0.0435 0.2324 0.5
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0458 0.2528 0.2372
Trypanosoma brucei Valosin-containing protein 0.0435 0.2324 1
Toxoplasma gondii cell division protein CDC48CY 0.0458 0.2528 1
Trypanosoma cruzi Valosin-containing protein, putative 0.0435 0.2324 1
Brugia malayi vesicle-fusing ATPase 0.0269 0.0889 0.4829
Plasmodium vivax metacaspase 1, putative 0.0354 0.1623 0.6984
Echinococcus granulosus caspase 0.1322 1 1
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0458 0.2528 1
Echinococcus multilocularis caspase 3 0.0969 0.6943 0.6879
Schistosoma mansoni caspase-3 (C14 family) 0.1322 1 1
Mycobacterium ulcerans ATPase 0.0274 0.0937 0.5
Echinococcus multilocularis caspase 0.1322 1 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0354 0.1623 1
Mycobacterium tuberculosis Putative conserved ATPase 0.0274 0.0937 0.5
Brugia malayi Cell death protein 3 precursor 0.0354 0.1623 1
Schistosoma mansoni caspase-7 (C14 family) 0.1322 1 1
Loa Loa (eye worm) vesicle-fusing ATPase 0.0269 0.0889 0.4829
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0354 0.1623 0.4313
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.0435 0.2324 0.5
Brugia malayi valosin containing protein 0.0269 0.0889 0.4829
Loa Loa (eye worm) hypothetical protein 0.0354 0.1623 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.1322 1 1
Toxoplasma gondii cell division protein CDC48AP 0.0274 0.0937 0.0000097958
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0458 0.2528 0.2372
Loa Loa (eye worm) hypothetical protein 0.0354 0.1623 1
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0435 0.2324 1
Giardia lamblia AAA family ATPase 0.0274 0.0937 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) Analgesic activity in Mus musculus Swiss albino (mouse) assessed as inhibition of acetic acid-induced writhing at 20 mg/kg, po administered 30 min before acetic acid challenge measured for 20 min after acetic acid injection by hot plate test ChEMBL. No reference
IZ (functional) Antimicrobial activity against Escherichia coli ATCC 25922 after 24 hr by agar diffusion method ChEMBL. No reference
IZ (functional) = 16 mm Antimicrobial activity against Candida albicans NRRLY-477 after 24 hr by agar diffusion method ChEMBL. No reference
IZ (functional) = 30 mm Antimicrobial activity against Saccharomyces cerevisiae after 24 hr by agar diffusion method ChEMBL. No reference
MIC (functional) = 20.8 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae after 24 hr by agar diffusion method ChEMBL. No reference

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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