Detailed information for compound 1843075

Basic information

Technical information
  • TDR Targets ID: 1843075
  • Name: 1-[(2R)-2-(2,4-dichlorophenyl)-3-prop-2-enoxy propyl]-1,2,4-triazole
  • MW: 312.194 | Formula: C14H15Cl2N3O
  • H donors: 0 H acceptors: 2 LogP: 3.44 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOC[C@H](c1ccc(cc1Cl)Cl)Cn1cncn1
  • InChi: 1S/C14H15Cl2N3O/c1-2-5-20-8-11(7-19-10-17-9-18-19)13-4-3-12(15)6-14(13)16/h2-4,6,9-11H,1,5,7-8H2/t11-/m1/s1
  • InChiKey: OHILTJIKJPVBGV-LLVKDONJSA-N  

Network

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Synonyms

  • 1-[(2R)-3-allyloxy-2-(2,4-dichlorophenyl)propyl]-1,2,4-triazole
  • 1-[(2R)-2-(2,4-dichlorophenyl)-3-prop-2-enoxy-propyl]-1,2,4-triazole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Ustilago maydis (strain 521 / FGSC 9021) (Corn smut fungus) Lanosterol 14-alpha demethylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis lanosterol 14-alpha-demethylase, putative Get druggable targets OG5_129288 All targets in OG5_129288
Trypanosoma cruzi Lanosterol 14-alpha demethylase Get druggable targets OG5_129288 All targets in OG5_129288
Trypanosoma brucei Lanosterol 14-alpha demethylase Get druggable targets OG5_129288 All targets in OG5_129288
Trypanosoma congolense Lanosterol 14-alpha demethylase Get druggable targets OG5_129288 All targets in OG5_129288
Candida albicans cytochrome P450 lanosterol 14-alpha -demethylase Get druggable targets OG5_129288 All targets in OG5_129288
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 Get druggable targets OG5_129288 All targets in OG5_129288
Trypanosoma brucei gambiense lanosterol 14-alpha-demethylase,cytochrome P450 51A1, putative Get druggable targets OG5_129288 All targets in OG5_129288
Trypanosoma cruzi Lanosterol 14-alpha demethylase Get druggable targets OG5_129288 All targets in OG5_129288
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) Get druggable targets OG5_129288 All targets in OG5_129288
Leishmania infantum lanosterol 14-alpha-demethylase, putative Get druggable targets OG5_129288 All targets in OG5_129288
Candida albicans cytochrome P450 lanosterol 14-alpha -demethylase Get druggable targets OG5_129288 All targets in OG5_129288
Leishmania donovani Lanosterol 14-alpha demethylase Get druggable targets OG5_129288 All targets in OG5_129288
Leishmania mexicana lanosterol 14-alpha-demethylase, putative Get druggable targets OG5_129288 All targets in OG5_129288
Leishmania major lanosterol 14-alpha-demethylase, putative Get druggable targets OG5_129288 All targets in OG5_129288

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum cytochrome P450 family protein Lanosterol 14-alpha demethylase   561 aa 539 aa 20.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0132 0.0889 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0132 0.0889 0.0889
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0183 0.1364 1
Toxoplasma gondii isocitrate dehydrogenase 0.0132 0.0889 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0132 0.0889 0.5
Echinococcus granulosus protein will die slowly 0.1107 1 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0183 0.1364 1
Loa Loa (eye worm) WD40 repeat protein 0.1107 1 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0132 0.0889 0.6513
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0132 0.0889 0.0889
Onchocerca volvulus 0.1107 1 0.5
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0183 0.1364 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0183 0.1364 1
Echinococcus multilocularis protein will die slowly 0.1107 1 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0132 0.0889 0.5
Schistosoma mansoni hypothetical protein 0.1107 1 1
Trichomonas vaginalis WD repeat domain, putative 0.1107 1 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0132 0.0889 0.0889
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0132 0.0889 0.0889
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0132 0.0889 0.0889
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0183 0.1364 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0183 0.1364 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0132 0.0889 0.0889

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.28 mg/L Inhibition of 14alpha-demethylase Ustilago maydis ATCC 14826 assessed as reduction in 14alpha-methylfecosterol ChEMBL. 10888582
Inhibition (binding) Inhibition of 14alpha-demethylase Ustilago maydis ATCC 14826 assessed as reduction in ergosta-5,7-dien-3-ol ChEMBL. 10888582
Inhibition (binding) Inhibition of 14alpha-demethylase Ustilago maydis ATCC 14826 assessed as reduction in ergosterol ChEMBL. 10888582

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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