Detailed information for compound 234288

Basic information

Technical information
  • TDR Targets ID: 234288
  • Name: 4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazol- 1-yl)butan-2-ol
  • MW: 327.808 | Formula: C18H18ClN3O
  • H donors: 1 H acceptors: 3 LogP: 3.59 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CC(C(c1ccccc1)(O)C)n1cncn1
  • InChi: 1S/C18H18ClN3O/c1-18(23,15-5-3-2-4-6-15)17(22-13-20-12-21-22)11-14-7-9-16(19)10-8-14/h2-10,12-13,17,23H,11H2,1H3
  • InChiKey: YULDTPKHZNKFEY-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)-2-butanol
  • brassinazole

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
Plasmodium vivax enoyl-acyl carrier protein reductase 0.1729 1 1
Trypanosoma brucei pteridine reductase 1 0.0117 0 0.5
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0117 0 0.5
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.1729 1 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.1729 1 1
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0117 0 0.5
Leishmania major oxidoreductase-like protein 0.0117 0 0.5
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0117 0 0.5
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0117 0 0.5
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0117 0 0.5
Trypanosoma brucei oxidoreductase-like protein 0.0117 0 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0117 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0232 0.0716 0.4073
Loa Loa (eye worm) hypothetical protein 0.04 0.1758 1
Onchocerca volvulus 0.0117 0 0.5
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0117 0 0.5
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0117 0 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0117 0 0.5
Onchocerca volvulus 0.0117 0 0.5
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.1729 1 1
Loa Loa (eye worm) hypothetical protein 0.0212 0.0592 0.3364
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.1729 1 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.1729 1 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0232 0.0716 1
Schistosoma mansoni dihydropteridine reductase 0.0117 0 0.5
Plasmodium falciparum enoyl-acyl carrier reductase 0.1729 1 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0117 0 0.5
Leishmania major pteridine reductase 1 0.0117 0 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0117 0 0.5
Trichomonas vaginalis hypothetical protein 0.1729 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Hypocotyl length (functional) = 0.5 cm Inhibitory activity on cress growth at a concentration of 5 microM ChEMBL. 10091696
Hypocotyl length (functional) = 0.75 cm Inhibitory activity on cress growth at a concentration of 1 microM ChEMBL. 10091696
Hypocotyl length (functional) = 1.25 cm Inhibitory activity on cress growth at a concentration of 0.5 microM ChEMBL. 10091696
Hypocotyl length (functional) ~ 2 cm Inhibitory activity on cress growth at a concentration of 0.05 microM ChEMBL. 10091696
Hypocotyl length (functional) ~ 2.25 cm Inhibitory activity on cress growth at a concentration of 0.1 microM ChEMBL. 10091696
Rice stem length (functional) ~ 2.7 cm Compound was tested for its activity in rice stem elongation test at a concentration of 1 microM. Stem length was measured after 7 days of transplantation ChEMBL. 10091696
Rice stem length (functional) ~ 2.7 cm Compound was tested for its activity in rice stem elongation test at a concentration of 1 microM. Stem length was measured after 7 days of transplantation ChEMBL. 10091696

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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