Detailed information for compound 269153

Basic information

Technical information
  • TDR Targets ID: 269153
  • Name: 6-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[ 3,4-f]pyridazine
  • MW: 264.206 | Formula: C12H7F3N4
  • H donors: 0 H acceptors: 3 LogP: 2.32 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(c1nnc2n1nc(cc2)c1ccccc1)(F)F
  • InChi: 1S/C12H7F3N4/c13-12(14,15)11-17-16-10-7-6-9(18-19(10)11)8-4-2-1-3-5-8/h1-7H
  • InChiKey: WCZVDXSSHBCXPA-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0062 0.0854 0.1395
Loa Loa (eye worm) DR-78 0.0029 0.0091 0.0148
Leishmania major cytochrome p450-like protein 0.0044 0.0417 0.0417
Loa Loa (eye worm) hypothetical protein 0.0029 0.0091 0.0148
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0132 0.2459 0.2458
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0062 0.0854 0.1394
Brugia malayi nuclear hormone receptor 0.0029 0.0091 0.0148
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0062 0.0854 0.1395
Brugia malayi steroid hormone receptor 0.0062 0.0854 0.1394
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0062 0.0854 0.1394
Echinococcus multilocularis ecdysone induced protein 78C 0.0062 0.0854 0.1395
Schistosoma mansoni hypothetical protein 0.0026 0 0.0001
Loa Loa (eye worm) hypothetical protein 0.0062 0.0854 0.1394
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0033 0.0173 0.0282
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.0173 0.0282
Brugia malayi nuclear receptor RXR 0.0033 0.0173 0.0282
Brugia malayi hypothetical protein 0.0029 0.0091 0.0148
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0037 0.0275 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0153 0.025
Loa Loa (eye worm) hypothetical protein 0.0029 0.0091 0.0148
Brugia malayi Cytochrome P450 family protein 0.0044 0.0417 0.0681
Echinococcus granulosus thymidylate synthase 0.0277 0.5819 0.9501
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0029 0.0091 0.0149
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0033 0.0173 0.0282
Brugia malayi hypothetical protein 0.0029 0.0091 0.0148
Schistosoma mansoni RAR-like nuclear receptor 0.0062 0.0854 0.1395
Brugia malayi nuclear receptor NHR-67 0.0029 0.0091 0.0148
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0062 0.0854 0.1395
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0037 0.0275 0.0449
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.0417 0.0681
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0062 0.0854 0.1395
Echinococcus multilocularis thymidylate synthase 0.0277 0.5819 0.9501
Loa Loa (eye worm) hypothetical protein 0.0029 0.0091 0.0148
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0458 1 0.5
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0275 0.0449
Loa Loa (eye worm) hypothetical protein 0.0037 0.0275 0.0448
Trypanosoma cruzi cytochrome P450, putative 0.0044 0.0417 0.0417
Loa Loa (eye worm) hypothetical protein 0.0033 0.0173 0.0282
Brugia malayi hypothetical protein 0.0033 0.0173 0.0282
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0037 0.0275 0.0274
Trypanosoma brucei cytochrome P450, putative 0.0044 0.0417 0.0417
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0062 0.0854 0.1395
Loa Loa (eye worm) hypothetical protein 0.0029 0.0091 0.0148
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0062 0.0854 0.1332
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0029 0.0076 0.0123
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0062 0.0854 0.1395
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0062 0.0854 0.1394
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0062 0.0854 0.1395
Brugia malayi Dihydrofolate reductase 0.0291 0.6124 1
Brugia malayi Nuclear hormone receptor E75 0.0029 0.0091 0.0148
Loa Loa (eye worm) hypothetical protein 0.0033 0.0173 0.0282
Brugia malayi nuclear receptor RXR 0.0029 0.0091 0.0148
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0291 0.6124 1
Echinococcus granulosus nuclear receptor nhr 48 0.0029 0.0091 0.0149
Trichomonas vaginalis conserved hypothetical protein 0.0132 0.2459 1
Brugia malayi dihydrofolate reductase family protein 0.0291 0.6124 1
Schistosoma mansoni nuclear receptor nhr-48 0.0029 0.0091 0.0149
Loa Loa (eye worm) CYP4Cod1 0.0044 0.0417 0.0681
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0029 0.0091 0.0148
Loa Loa (eye worm) hypothetical protein 0.0062 0.0854 0.1394
Brugia malayi hypothetical protein 0.0132 0.2459 0.4014
Echinococcus granulosus thyroid hormone receptor alpha 0.0029 0.0091 0.0149
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0277 0.5819 0.9501
Brugia malayi nuclear receptor NHR-88 0.0029 0.0091 0.0148
Echinococcus multilocularis FTZ F1 alpha 0.0062 0.0854 0.1395
Brugia malayi conserved hypotetical protein 0.0029 0.0091 0.0148
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0029 0.0091 0.0149
Echinococcus multilocularis roundabout 2 0.0032 0.0153 0.025
Loa Loa (eye worm) hypothetical protein 0.0029 0.0091 0.0148
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0029 0.0091 0.0149
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0062 0.0854 0.1394
Schistosoma mansoni nuclear hormone receptor 0.0062 0.0854 0.1395
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.0417 0.0681
Echinococcus granulosus ubiquitin specific protease 41 0.0037 0.0275 0.0449
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0037 0.0275 0.0449
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0275 0.0449
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0033 0.0173 0.0282
Brugia malayi Cytochrome P450 family protein 0.0065 0.0908 0.1482
Brugia malayi Steroid receptor seven-up type 2 0.0062 0.0854 0.1394
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0062 0.0854 0.1394
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0062 0.0854 0.1394
Loa Loa (eye worm) steroid hormone receptor 0.0062 0.0854 0.1394
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0275 0.0449
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0062 0.0854 0.1394
Trypanosoma cruzi cytochrome P450, putative 0.0044 0.0417 0.0417
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0027 0.0033 0.0054
Echinococcus multilocularis thyroid hormone receptor alpha 0.0062 0.0854 0.1395
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0458 1 1
Onchocerca volvulus 0.0277 0.5819 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.0091 0.0149
Schistosoma mansoni dihydrofolate reductase 0.0291 0.6124 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0062 0.0854 0.1395
Onchocerca volvulus 0.0062 0.0854 0.1332
Loa Loa (eye worm) hypothetical protein 0.0029 0.0091 0.0148
Echinococcus multilocularis ubiquitin specific protease 41 0.0037 0.0275 0.0449
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0062 0.0854 0.1395
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0458 1 0.5
Schistosoma mansoni nuclear receptor 0.0029 0.0091 0.0149
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0275 0.0274
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0029 0.0091 0.0149
Loa Loa (eye worm) hypothetical protein 0.0029 0.0091 0.0148
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0062 0.0854 0.1395
Brugia malayi Nuclear hormone receptor E75 0.0029 0.0091 0.0148
Brugia malayi photoreceptor-specific nuclear receptor 0.0062 0.0854 0.1394
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.0701 0.1145
Loa Loa (eye worm) hypothetical protein 0.0062 0.0854 0.1394
Loa Loa (eye worm) thymidylate synthase 0.0277 0.5819 0.9501
Loa Loa (eye worm) hypothetical protein 0.0029 0.0091 0.0148
Schistosoma mansoni nuclear hormone receptor 0.0029 0.0091 0.0149
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0029 0.0091 0.0149
Loa Loa (eye worm) hypothetical protein 0.0029 0.0091 0.0148
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0062 0.0854 0.1395
Brugia malayi ecdysone receptor 0.0029 0.0091 0.0148
Brugia malayi Nuclear hormone receptor-like 1 0.0062 0.0854 0.1394
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0291 0.6124 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0458 1 1
Schistosoma mansoni thyroid hormone receptor 0.0062 0.0854 0.1395
Schistosoma mansoni coup transcription factor 0.0062 0.0854 0.1395
Loa Loa (eye worm) hypothetical protein 0.0062 0.0854 0.1394
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0062 0.0854 0.1395
Onchocerca volvulus Bile acid receptor homolog 0.0062 0.0854 0.1332
Loa Loa (eye worm) hypothetical protein 0.0062 0.0854 0.1394
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0062 0.0854 0.1395
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0062 0.0854 0.1394
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0062 0.0854 0.1394
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.0173 0.0282
Loa Loa (eye worm) nuclear receptor NHR-67 0.0029 0.0091 0.0148
Brugia malayi nuclear hormone receptor family member nhr-6 0.0029 0.0091 0.0148
Schistosoma mansoni thyroid hormone receptor 0.0062 0.0854 0.1395
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0029 0.0091 0.0148
Brugia malayi Immunoglobulin I-set domain containing protein 0.0029 0.0076 0.0123
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.0091 0.0149
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0275 0.0449
Loa Loa (eye worm) cytochrome P450 family protein 0.0065 0.0908 0.1482
Schistosoma mansoni steroid hormone receptor ad4bp 0.0062 0.0854 0.1395
Echinococcus multilocularis dihydrofolate reductase 0.0291 0.6124 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0062 0.0854 0.1394
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0029 0.0091 0.0149
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0062 0.0854 0.1394
Brugia malayi Cytochrome P450 family protein 0.0044 0.0417 0.0681
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0029 0.0091 0.0149
Loa Loa (eye worm) hypothetical protein 0.0062 0.0854 0.1394
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0062 0.0854 0.1394
Brugia malayi hypothetical protein 0.0033 0.0173 0.0282
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0033 0.0173 0.0282
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.0701 0.1145
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0275 0.0274
Brugia malayi orphan nuclear receptor NR2E1 0.0029 0.0091 0.0148
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0062 0.0854 0.1394
Brugia malayi tailless protein 0.0029 0.0091 0.0148
Echinococcus granulosus Nuclear hormone receptor HR96 0.0029 0.0091 0.0149
Echinococcus granulosus ecdysone induced protein 78C 0.0062 0.0854 0.1395
Schistosoma mansoni lipoxygenase 0.0056 0.0701 0.1145
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0062 0.0854 0.1394
Schistosoma mansoni nuclear receptor 0.0029 0.0091 0.0149
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0062 0.0854 0.1395
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0062 0.0854 0.1394
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0062 0.0854 0.1394
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0062 0.0854 0.1395
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0033 0.0173 0.0282
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0037 0.0275 0.0448
Brugia malayi nuclear hormone receptor family member odr-7 0.0029 0.0091 0.0148
Schistosoma mansoni cell adhesion molecule 0.0027 0.0033 0.0054
Onchocerca volvulus Protein ultraspiracle homolog 0.0062 0.0854 0.1332
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0062 0.0854 0.1394
Echinococcus granulosus roundabout 2 0.0032 0.0153 0.025
Loa Loa (eye worm) hypothetical protein 0.0027 0.0033 0.0053
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0458 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0854 0.1394
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0277 0.5819 0.9501
Chlamydia trachomatis dihydrofolate reductase 0.0291 0.6124 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0062 0.0854 0.1395
Brugia malayi ecdysteroid receptor 0.0062 0.0854 0.1394
Brugia malayi nuclear hormone receptor 0.0062 0.0854 0.1394
Mycobacterium ulcerans thymidylate synthase 0.0277 0.5819 0.9501
Schistosoma mansoni nuclear hormone receptor 0.0029 0.0091 0.0149
Schistosoma mansoni cytochrome P450 0.0026 0 0.0001
Loa Loa (eye worm) hypothetical protein 0.0033 0.0173 0.0282
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0062 0.0854 0.1394
Loa Loa (eye worm) nuclear hormone receptor 0.0029 0.0091 0.0148
Echinococcus granulosus dihydrofolate reductase 0.0291 0.6124 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0091 0.0148
Loa Loa (eye worm) hypothetical protein 0.0033 0.0173 0.0282
Loa Loa (eye worm) hypothetical protein 0.0029 0.0091 0.0148
Schistosoma mansoni retinoic acid receptor RXR 0.0062 0.0854 0.1395
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0062 0.0854 0.1394
Loa Loa (eye worm) hypothetical protein 0.0032 0.0153 0.025
Echinococcus granulosus cytochrome P450 2K1 0.0026 0 0.0001
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0037 0.0275 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0062 0.0854 0.1395
Echinococcus granulosus Nuclear hormone receptor HR96 0.0029 0.0091 0.0149
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0062 0.0854 0.1395
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0277 0.5819 0.9501
Mycobacterium tuberculosis Hypothetical protein 0.0132 0.2459 0.4014
Schistosoma mansoni zinc finger protein 0.0029 0.0091 0.0149
Loa Loa (eye worm) hypothetical protein 0.0062 0.0854 0.1394
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0291 0.6124 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0091 0.0148
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0062 0.0854 0.1395
Echinococcus multilocularis 0.0026 0 0.0001
Echinococcus granulosus FTZ F1 alpha 0.0062 0.0854 0.1395
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0062 0.0854 0.1394
Echinococcus multilocularis nuclear receptor nhr 48 0.0029 0.0091 0.0149
Loa Loa (eye worm) dihydrofolate reductase 0.0291 0.6124 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0091 0.0148
Loa Loa (eye worm) hypothetical protein 0.0033 0.0173 0.0282
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0044 0.0417 0.0681
Brugia malayi thymidylate synthase 0.0277 0.5819 0.9501
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0275 0.0274
Brugia malayi nuclear receptor NHR-88 0.0062 0.0854 0.1394

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Binding affinity to human recombinant biotinylated BRD9 by UV spectrophotometric analysis ChEMBL. No reference
Activity (binding) = 212 uL Binding affinity to human recombinant biotinylated BRD9 assessed as retention volume at 4 uM by FAC-MS analysis ChEMBL. No reference
Delta Tm (binding) = -0.6 degrees C Binding affinity to human recombinant biotinylated BRD9 assessed as change in melting temperature at 4 uM by thermal shift assay ChEMBL. No reference
ED50 (functional) = 15 mg kg-1 Anxiolytic activity for protection against pentylenetetrazole-induced convulsions in experiment 1 ChEMBL. 6113284
ED50 (functional) = 18 mg kg-1 Anxiolytic activity for protection against pentylenetetrazole-induced convulsions in experiment 2 ChEMBL. 6113284
IC50 (binding) nM in vitro inhibition of [3H]-diazepam binding against rat Benzodiazepine receptor ChEMBL. 6113284
IC50 (binding) 0 nM in vitro inhibition of [3H]-diazepam binding against rat Benzodiazepine receptor ChEMBL. 6113284
Inhibition (binding) % In vitro inhibition of [3H]-diazepam binding towards Benzodiazepine receptor at 1 uM; Not tested. ChEMBL. 6113284
Inhibition (binding) 0 % In vitro inhibition of [3H]-diazepam binding towards Benzodiazepine receptor at 1 uM; Not tested. ChEMBL. 6113284

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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