Detailed information for compound 1590870

Basic information

Technical information
  • TDR Targets ID: 1590870
  • Name: 1-(2,7-diethoxynaphthalen-1-yl)-N-(1,2,4-tria zol-4-yl)methanimine
  • MW: 310.35 | Formula: C17H18N4O2
  • H donors: 0 H acceptors: 2 LogP: 3.08 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc2c(c1/C=N/n1cnnc1)cc(cc2)OCC
  • InChi: 1S/C17H18N4O2/c1-3-22-14-7-5-13-6-8-17(23-4-2)16(15(13)9-14)10-20-21-11-18-19-12-21/h5-12H,3-4H2,1-2H3/b20-10+
  • InChiKey: DQYGJJBNOAKIHK-KEBDBYFISA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2,7-diethoxy-1-naphthyl)-N-(1,2,4-triazol-4-yl)methanimine
  • (E)-(2,7-diethoxy-1-naphthyl)methylene-(1,2,4-triazol-4-yl)amine
  • (2,7-diethoxy-1-naphthyl)methylene-(1,2,4-triazol-4-yl)amine
  • N-[(2,7-diethoxy-1-naphthyl)methylene]-4H-1,2,4-triazol-4-amine
  • SMR000497272
  • Oprea1_093463
  • MLS001163350

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens transient receptor potential cation channel, subfamily V, member 1 Starlite/ChEMBL No references

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
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0035 0 0.5
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0104 0.3304 0.3304
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0139 0.4994 1
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0078 0.208 0.5
Giardia lamblia Pyruvate-flavodoxin oxidoreductase 0.0035 0 0.5
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0035 0 0.5
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0035 0 0.5
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0139 0.4994 0.4994
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0078 0.208 0.5
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0243 1 1
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0078 0.208 0.5
Schistosoma mansoni acetolactate synthase 0.0207 0.8298 0.5
Loa Loa (eye worm) ILVBL protein 0.0147 0.5384 1
Entamoeba histolytica pyruvate:ferredoxin oxidoreductase 0.0035 0 0.5
Treponema pallidum pyruvate oxidoreductase 0.0035 0 0.5
Plasmodium falciparum acyl-CoA synthetase 0.0139 0.4994 0.5
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0243 1 1
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0243 1 1
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.0043 0.0378 0.0378
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0243 1 1
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0243 1 1
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0078 0.208 0.5
Plasmodium vivax acyl-CoA synthetase, putative 0.0139 0.4994 0.5
Mycobacterium ulcerans hypothetical protein 0.0243 1 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0035 0 0.5
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0243 1 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0035 0 0.5
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0035 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0078 0.208 0.208
Schistosoma mansoni acetolactate synthase 0.0207 0.8298 0.5
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0139 0.4994 0.4994
Mycobacterium ulcerans acetolactate synthase 0.0139 0.4994 0.4994

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.3194 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds that Act as Potentiators of the Vanilloid Receptor 1: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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