Detailed information for compound 263610

Basic information

Technical information
  • TDR Targets ID: 263610
  • Name: 1-(2,3,3-triiodoprop-2-enyl)tetrazole
  • MW: 487.807 | Formula: C4H3I3N4
  • H donors: 0 H acceptors: 3 LogP: 2.65 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: IC(=C(Cn1cnnn1)I)I
  • InChi: 1S/C4H3I3N4/c5-3(4(6)7)1-11-2-8-9-10-11/h2H,1H2
  • InChiKey: QRINLUZKIUTVSF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2,3,3-triiodoallyl)tetrazole
  • 1-(2,3,3-triiodoprop-2-enyl)-1,2,3,4-tetrazole
  • 1H-Tetrazole, 1-(2,3,3-triiodo-2-propenyl)-
  • AIDS-154245
  • AIDS154245

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
Loa Loa (eye worm) cytochrome P450 family protein 0.0053 0.0815 0.0815
Echinococcus multilocularis casein kinase I delta 0.0487 1 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0035 0.0035
Echinococcus granulosus GPCR family 2 0.0032 0.0367 0.0367
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0187 0.0187
Echinococcus multilocularis GPCR, family 2 0.0032 0.0367 0.0367
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.1144 0.1144
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0466 0.0466
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0479 0.9831 0.9831
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0187 0.0187
Echinococcus multilocularis casein kinase I alpha 0.0487 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0035 0.0035
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0367 0.0367
Trypanosoma cruzi casein kinase, putative 0.0487 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.1813 0.1813
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0035 0.0035
Entamoeba histolytica casein kinase 1, putative 0.0487 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0187 0.0187
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0487 1 1
Brugia malayi Cytochrome P450 family protein 0.0053 0.0815 0.0815
Echinococcus granulosus casein kinase I gamma 0.0417 0.8526 0.8526
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0035 0.0035
Echinococcus granulosus neuropeptide s receptor 0.0467 0.9575 0.9575
Schistosoma mansoni serine/threonine protein kinase 0.0417 0.8526 0.8526
Schistosoma mansoni hypothetical protein 0.0032 0.0367 0.0367
Trichomonas vaginalis CK1 family protein kinase 0.0487 1 0.5
Toxoplasma gondii casein kinase I 0.0487 1 1
Schistosoma mansoni hypothetical protein 0.0032 0.0367 0.0367
Echinococcus multilocularis casein kinase I alpha 0.0487 1 1
Echinococcus granulosus casein kinase i 0.0487 1 1
Brugia malayi Cytochrome P450 family protein 0.0023 0.0187 0.0187
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0187 1
Echinococcus multilocularis casein kinase I gamma 0.0417 0.8526 0.8526
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0367 0.0367
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0035 0.0035
Trichomonas vaginalis CK1 family protein kinase 0.0487 1 0.5
Echinococcus granulosus casein kinase I alpha 0.0487 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0035 0.0035
Schistosoma mansoni hypothetical protein 0.0068 0.1144 0.1144
Trypanosoma cruzi casein kinase, putative 0.0487 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0466 0.0466
Echinococcus multilocularis casein kinase i 0.0487 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0035 0.0035
Onchocerca volvulus 0.0487 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0187 0.0187
Brugia malayi Cytochrome P450 family protein 0.0023 0.0187 0.0187
Echinococcus granulosus casein kinase I delta 0.0487 1 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0035 0.0035
Loa Loa (eye worm) protein kinase domain-containing protein 0.0417 0.8526 0.8526
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0035 0.0035
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.1813 0.1813
Schistosoma mansoni hypothetical protein 0.0032 0.0367 0.0367
Echinococcus granulosus casein kinase I alpha 0.0487 1 1
Trypanosoma cruzi casein kinase, putative 0.0487 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0367 0.0367
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0035 0.0035
Schistosoma mansoni hypothetical protein 0.0036 0.0466 0.0466
Giardia lamblia Kinase, CK1 Casein kinase 0.0487 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.1813 0.1813
Echinococcus multilocularis neuropeptide s receptor 0.0467 0.9575 0.9575
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0367 0.0367
Trichomonas vaginalis CK1 family protein kinase 0.0487 1 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0035 0.0035
Echinococcus multilocularis casein kinase I delta 0.0487 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0466 0.0466
Loa Loa (eye worm) CK1/CK1/CK1-D protein kinase 0.0487 1 1
Trypanosoma cruzi casein kinase, putative 0.0487 1 1
Leishmania major cytochrome p450-like protein 0.0023 0.0187 0.0187
Schistosoma mansoni hypothetical protein 0.0032 0.0367 0.0367
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0187 0.0187
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0367 0.0367
Brugia malayi casein kinase I 0.0487 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.1813 0.1813
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0035 0.0035
Echinococcus granulosus casein kinase I alpha 0.0487 1 1
Mycobacterium leprae putative cytochrome p450 0.0014 0 0.5
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0367 0.0367
Loa Loa (eye worm) hypothetical protein 0.0068 0.1144 0.1144
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0035 0.0035
Echinococcus multilocularis casein kinase I alpha 0.0487 1 1
Schistosoma mansoni protein kinase 0.0487 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0487 1 1
Brugia malayi isocitrate dehydrogenase 0.0016 0.0035 0.0035
Loa Loa (eye worm) casein kinase 0.0409 0.8357 0.8357
Mycobacterium leprae Conserved hypothetical protein 0.0014 0 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0035 0.0035
Echinococcus multilocularis neuropeptide receptor A26 0.0467 0.9575 0.9575
Brugia malayi Protein kinase domain containing protein 0.0417 0.8526 0.8526
Echinococcus granulosus casein kinase I delta 0.0487 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0367 0.0367
Brugia malayi hypothetical protein 0.0036 0.0466 0.0466
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0487 1 1
Entamoeba histolytica casein kinase, putative 0.0487 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0187 0.0187
Leishmania major casein kinase, putative 0.0487 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0035 1
Trypanosoma cruzi casein kinase, putative 0.0487 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0367 0.0367
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0035 0.0035
Plasmodium falciparum casein kinase 1 0.0487 1 1
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0487 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0035 0.0035
Plasmodium vivax casein kinase 1, putative 0.0487 1 1
Trypanosoma brucei casein kinase I, isoform 2 0.0487 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0467 0.9575 0.9575

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.39 ug ml-1 Antifungal activity towards Trichophyton mentagrophytes 530324 strain ChEMBL. 3546691
MIC (functional) = 0.39 ug ml-1 Antifungal activity towards Trichophyton interdigitale ChEMBL. 3546691
MIC (functional) = 0.78 ug ml-1 Antifungal activity against Aspergillus fumigatus Saito strain ChEMBL. 3546691
MIC (functional) = 3.13 ug ml-1 Antifungal activity against Candida albicans C-A-24 strain ChEMBL. 3546691
MIC (functional) = 3.13 ug ml-1 Antifungal activity against Cryptococcus neoformans Cr-1 strain ChEMBL. 3546691
MIC (functional) = 3.13 ug ml-1 Antifungal activity against Candida albicans C-A-24 strain ChEMBL. 3546691
MIC (functional) = 3.13 ug ml-1 Antifungal activity against Cryptococcus neoformans Cr-1 strain ChEMBL. 3546691

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

1 literature reference was collected for this gene.

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