Detailed information for compound 1207499

Basic information

Technical information
  • TDR Targets ID: 1207499
  • Name: 5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl) benzotriazol-5-yl]furan-2-carboxamide
  • MW: 479.315 | Formula: C24H16Cl2N4O3
  • H donors: 1 H acceptors: 3 LogP: 6.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl
  • InChi: 1S/C24H16Cl2N4O3/c1-32-17-6-4-16(5-7-17)30-28-20-9-3-15(13-21(20)29-30)27-24(31)23-11-10-22(33-23)18-12-14(25)2-8-19(18)26/h2-13H,1H3,(H,27,31)
  • InChiKey: KGVCLEFRRVLJIM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)-5-benzotriazolyl]-2-furancarboxamide
  • 5-(2,5-dichlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-furamide
  • Oprea1_248547
  • Oprea1_281436
  • BAS 01064788
  • ZINC00848995
  • NCGC00098498-01
  • AG-690/12893645

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.0175 0.3003
Trichomonas vaginalis sphingosine kinase, putative 0.0112 0.0185 0.5
Leishmania major diacylglycerol kinase, putative 0.0112 0.0185 1
Mycobacterium leprae putative cytochrome p450 0.006 0.0003 0.5
Leishmania major cytochrome p450-like protein 0.0098 0.0136 0.7305
Mycobacterium tuberculosis Diacylglycerol kinase 0.0112 0.0185 0.0183
Loa Loa (eye worm) diacylglycerol kinase 2 0.0112 0.0185 0.0185
Echinococcus granulosus cytochrome P450 2K1 0.006 0.0003 0.0003
Schistosoma mansoni diacylglycerol kinase theta 0.0112 0.0185 0.0185
Trichomonas vaginalis diacylglycerol kinase, putative 0.0112 0.0185 0.5
Echinococcus granulosus Diacylglycerol kinase theta 0.0112 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0074 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.0112 0.0185 0.0185
Trichomonas vaginalis diacylglycerol kinase, putative 0.0112 0.0185 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2756 0.2756
Echinococcus multilocularis 0.006 0.0003 0.0003
Loa Loa (eye worm) CYP4Cod1 0.0098 0.0136 0.0136
Echinococcus granulosus acylglycerol kinase mitochondrial 0.0112 0.0185 0.0185
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0098 0.0136 0.0133
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.0112 0.0185 1
Brugia malayi cytochrome P450 0.006 0.0003 0.0051
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0206 0.0523 0.0523
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0112 0.0185 0.5
Brugia malayi Cytochrome P450 family protein 0.0098 0.0136 0.2335
Echinococcus multilocularis Diacylglycerol kinase zeta 0.0112 0.0185 0.0185
Loa Loa (eye worm) cytochrome P450 family protein 0.0098 0.0136 0.0136
Trichomonas vaginalis sphingosine kinase, putative 0.0112 0.0185 0.5
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0112 0.0185 1
Brugia malayi Cytochrome P450 family protein 0.0223 0.0583 1
Trypanosoma brucei Sphingosine kinase 0.0112 0.0185 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.0175 0.0175
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0112 0.0185 1
Entamoeba histolytica hypothetical protein, conserved 0.2867 1 1
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0112 0.0185 0.0185
Schistosoma mansoni cytochrome P450 0.006 0.0003 0.0003
Brugia malayi Ceramide kinase 0.0112 0.0185 0.3178
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0053 0.0901
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0112 0.0185 1
Trypanosoma cruzi diacylglycerol kinase, putative 0.0112 0.0185 1
Schistosoma mansoni hypothetical protein 0.0074 0.0053 0.0053
Brugia malayi diacylglycerol kinase 0.0112 0.0185 0.3178
Trypanosoma brucei hypothetical protein, conserved 0.0112 0.0185 1
Mycobacterium ulcerans hypothetical protein 0.2867 1 1
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.0112 0.0185 1
Plasmodium falciparum diacylglycerol kinase, putative 0.0112 0.0185 0.5
Loa Loa (eye worm) hypothetical protein 0.2867 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.0175 0.0175
Echinococcus granulosus ceramide kinase 0.0112 0.0185 0.0185
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0112 0.0185 1
Trypanosoma cruzi diacylglycerol kinase, putative 0.0112 0.0185 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.0185 0.0185
Leishmania major hypothetical protein, conserved 0.0112 0.0185 1
Plasmodium vivax diacylglycerol kinase, putative 0.0112 0.0185 0.5
Mycobacterium tuberculosis Conserved protein 0.2867 1 1
Trypanosoma cruzi Sphingosine kinase 0.0112 0.0185 1
Plasmodium vivax diacylglycerol kinase, putative 0.0112 0.0185 0.5
Schistosoma mansoni hypothetical protein 0.006 0.0003 0.0003
Trichomonas vaginalis bmru protein, putative 0.0112 0.0185 0.5
Schistosoma mansoni hypothetical protein 0.0318 0.0922 0.0922
Brugia malayi diacylglycerol kinase 0.0112 0.0185 0.3178
Schistosoma mansoni sphingoid long chain base kinase 0.2867 1 1
Echinococcus multilocularis ceramide kinase 0.0112 0.0185 0.0185
Echinococcus multilocularis acylglycerol kinase, mitochondrial 0.0112 0.0185 0.0185
Loa Loa (eye worm) ceramide kinase 0.0112 0.0185 0.0185
Plasmodium falciparum diacylglycerol kinase, putative 0.0112 0.0185 0.5
Loa Loa (eye worm) eye-specific diacylglycerol kinase 0.0112 0.0185 0.0185
Echinococcus multilocularis Diacylglycerol kinase theta 0.0112 0.0185 0.0185
Leishmania major diacylglycerol kinase-like protein 0.0112 0.0185 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0206 0.0523 0.0523
Trypanosoma cruzi Sphingosine kinase 0.0112 0.0185 1
Trypanosoma cruzi cytochrome P450, putative 0.0098 0.0136 0.7305
Schistosoma mansoni diacylglycerol kinase theta 0.0112 0.0185 0.0185
Brugia malayi Cytochrome P450 family protein 0.006 0.0003 0.0051
Loa Loa (eye worm) hypothetical protein 0.0112 0.0185 0.0185
Trypanosoma brucei diacylglycerol kinase, putative 0.0112 0.0185 1
Mycobacterium leprae Conserved hypothetical protein 0.006 0.0003 0.5
Onchocerca volvulus 0.0112 0.0185 0.5
Trichomonas vaginalis bmru protein, putative 0.0112 0.0185 0.5
Loa Loa (eye worm) cytochrome P450 0.006 0.0003 0.0003
Schistosoma mansoni sphingosine kinase A B 0.2867 1 1
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0112 0.0185 0.5
Brugia malayi Eye-specific diacylglycerol kinase 0.0112 0.0185 0.3178
Brugia malayi hypothetical protein 0.0112 0.0185 0.3178
Onchocerca volvulus Ceramide kinase 1 homolog 0.0112 0.0185 0.5
Mycobacterium ulcerans diacylglycerol kinase 0.0112 0.0185 0.0183
Trypanosoma brucei cytochrome P450, putative 0.0098 0.0136 0.7305
Schistosoma mansoni hypothetical protein 0.0112 0.0185 0.0185
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.0185 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0098 0.0136 0.0136
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0112 0.0185 0.5
Brugia malayi Cytochrome P450 family protein 0.0098 0.0136 0.2335
Leishmania major hypothetical protein, conserved 0.0112 0.0185 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.0175 0.3003
Echinococcus granulosus Diacylglycerol kinase zeta 0.0112 0.0185 0.0185
Toxoplasma gondii diacylglycerol kinase, putative 0.0112 0.0185 1
Echinococcus multilocularis sphingosine kinase 1 0.2867 1 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2756 0.2756
Brugia malayi Diacylglycerol kinase protein 2 0.0112 0.0185 0.3178
Trypanosoma cruzi cytochrome P450, putative 0.0098 0.0136 0.7305
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.0185 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2756 0.2756
Loa Loa (eye worm) cytochrome P450 family protein 0.0223 0.0583 0.0583
Schistosoma mansoni diacylglycerol kinase zeta iota 0.0112 0.0185 0.0185
Leishmania major sphingosine kinase A, B, putative 0.0112 0.0185 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 0.4467 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 5.1735 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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