Detailed information for compound 653991

Basic information

Technical information
  • TDR Targets ID: 653991
  • Name: 5-(2,4-dichlorophenyl)-4-(2-methylprop-2-enyl )-2H-1,2,4-triazole-3-thione
  • MW: 300.207 | Formula: C12H11Cl2N3S
  • H donors: 0 H acceptors: 2 LogP: 4.2 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=C)Cn1c(S)nnc1c1ccc(cc1Cl)Cl
  • InChi: 1S/C12H11Cl2N3S/c1-7(2)6-17-11(15-16-12(17)18)9-4-3-8(13)5-10(9)14/h3-5H,1,6H2,2H3,(H,16,18)
  • InChiKey: LLUHQFWZRQUSJD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ZINC00239044
  • 5-(2,4-Dichloro-phenyl)-4-(2-methyl-allyl)-4H-[1,2,4]triazole-3-thiol
  • BAS 00668828
  • ST5426579

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
Mycobacterium leprae Polyketide synthase Pks13 0.0036 0.2085 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0822 0.394
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.1216 0.5834
Trypanosoma brucei unspecified product 0.0019 0.0822 1
Mycobacterium ulcerans polyketide synthase 0.0026 0.1326 0.6357
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0822 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.1216 0.5834
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0822 1
Leishmania major DNA polymerase kappa, putative 0.0019 0.0822 0.5
Mycobacterium ulcerans fatty acid synthase Fas 0.0008 0.0012 0.0056
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0822 0.394
Onchocerca volvulus Fatty acid synthase homolog 0.0043 0.2626 1
Mycobacterium ulcerans polyketide synthase Pks9 0.0016 0.0621 0.2981
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.1216 0.5834
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0822 0.5
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.002 0.0924 0.4398
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0822 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.1216 0.5834
Loa Loa (eye worm) hypothetical protein 0.0019 0.0822 0.0569
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0017 0.0722 0.3461
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.001 0.017 0.0817
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0016 0.0621 0.2941
Toxoplasma gondii type I fatty acid synthase, putative 0.0017 0.071 0.3708
Mycobacterium ulcerans polyketide synthase 0.0024 0.1216 0.5834
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0822 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.1101 0.1101
Echinococcus multilocularis muscleblind protein 1 0.0145 1 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0036 0.2085 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0024 0.1216 0.581
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0822 1
Echinococcus granulosus muscleblind protein 0.0145 1 1
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0023 0.1163 0.5576
Loa Loa (eye worm) fatty acid synthase 0.0024 0.1193 0.0951
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0822 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0822 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0822 1
Mycobacterium ulcerans thioesterase 0.002 0.0924 0.443
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.1326 0.6357
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0822 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0822 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0822 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0822 0.5
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0026 0.1326 0.6337
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0822 0.5
Giardia lamblia DINP protein human, muc B family 0.0019 0.0822 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0822 0.0569
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.1326 0.6357
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.1101 0.528
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0008 0.0012 0.0056
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0822 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0822 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0019 0.0873 0.4188
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0822 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0046 0.2789 0.2789
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0822 1
Echinococcus multilocularis muscleblind protein 0.0145 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0023 0.1163 0.5576
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0024 0.1216 0.5834
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0822 1
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0008 0.0064 0.0306
Leishmania major DNA polymerase eta, putative 0.0019 0.0822 0.5
Mycobacterium ulcerans thioesterase TesA 0.002 0.0924 0.443
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0822 0.5
Mycobacterium ulcerans polyketide synthase Pks13 0.0036 0.2085 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0024 0.1216 0.581
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.0896 0.4299
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0822 0.0822
Mycobacterium tuberculosis Probable thioesterase TesA 0.002 0.0924 0.443
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.0599 0.2574
Loa Loa (eye worm) hypothetical protein 0.004 0.2411 0.2202
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0822 0.394
Mycobacterium leprae Probable polyketide synthase Pks1 0.0026 0.1326 0.6337
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0822 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0822 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0822 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0036 0.2085 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.1326 0.6357
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0024 0.1216 0.1216
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0026 0.1326 0.6337
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0822 0.394
Toxoplasma gondii type I fatty acid synthase, putative 0.0026 0.1326 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0444 0.0181
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0019 0.0873 0.4155
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0016 0.0621 0.2981
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0822 0.0822
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.1101 0.0856
Onchocerca volvulus 0.0042 0.2517 0.9285
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0822 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.1216 0.5834
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0026 0.1326 0.6357
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0822 0.5
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0026 0.1326 0.6357
Schistosoma mansoni DNA polymerase eta 0.0019 0.0822 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0019 0.0873 0.4188
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0014 0.0459 0.2199
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.1216 0.5834

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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