Detailed information for compound 1879266

Basic information

Technical information
  • TDR Targets ID: 1879266
  • Name: N-(pyridin-4-ylmethylideneamino)-1-benzofuran -2-carboxamide
  • MW: 265.267 | Formula: C15H11N3O2
  • H donors: 1 H acceptors: 2 LogP: 2.5 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc2c(o1)cccc2)N/N=C/c1ccncc1
  • InChi: 1S/C15H11N3O2/c19-15(18-17-10-11-5-7-16-8-6-11)14-9-12-3-1-2-4-13(12)20-14/h1-10H,(H,18,19)/b17-10+
  • InChiKey: HJIMMCXABJUTFU-LICLKQGHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-pyridylmethyleneamino)benzofuran-2-carboxamide
  • N-(4-pyridylmethyleneamino)-2-benzofurancarboxamide
  • ZINC02328689
  • Benzofuran-2-carboxylic acid [1-pyridin-4-yl-meth-(E)-ylidene]-hydrazide
  • MLS000587188
  • SMR000211233
  • STOCK2S-89861

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
Loa Loa (eye worm) hypothetical protein 0.0029 0.2503 0.2503
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.2503 1
Brugia malayi AMP-binding enzyme family protein 0.0029 0.2503 0.2503
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.2503 1
Onchocerca volvulus 0.0029 0.2503 0.5
Trypanosoma brucei cytochrome P450, putative 0.0028 0.2296 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0933 0.0933
Brugia malayi Cytochrome P450 family protein 0.0028 0.2296 0.2296
Entamoeba histolytica hypothetical protein 0.0043 0.5718 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.5718 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.2503 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.2503 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0933 0.0933
Leishmania major cytochrome p450-like protein 0.0028 0.2296 0.9172
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.2503 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.2503 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0679 0.2713
Loa Loa (eye worm) hypothetical protein 0.0021 0.0933 0.0933
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.2503 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.2296 0.2296
Mycobacterium ulcerans hypothetical protein 0.0029 0.2503 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.2503 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0933 0.0933
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.2503 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0679 0.2713
Brugia malayi AMP-binding enzyme family protein 0.0029 0.2503 0.2503
Entamoeba histolytica hypothetical protein 0.0043 0.5718 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0679 0.2713
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0933 0.5
Brugia malayi Cytochrome P450 family protein 0.0028 0.2296 0.2296
Loa Loa (eye worm) hypothetical protein 0.0029 0.2503 0.2503
Loa Loa (eye worm) hypothetical protein 0.0021 0.0933 0.0933
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.2503 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.2503 1
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.2296 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0933 0.3726
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0933 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.5718 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0017 0 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0933 0.3726
Loa Loa (eye worm) CYP4Cod1 0.0028 0.2296 0.2296
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.2296 0.9172
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0933 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.2503 0.2503
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.2503 1
Brugia malayi hypothetical protein 0.0043 0.5718 0.5718
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.2296 1
Brugia malayi AMP-binding enzyme family protein 0.0029 0.2503 0.2503
Schistosoma mansoni hypothetical protein 0.0043 0.5718 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0679 0.2713
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.2503 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.2296 0.2296
Loa Loa (eye worm) cytochrome P450 family protein 0.0063 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.5718 1
Entamoeba histolytica hypothetical protein 0.0043 0.5718 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.2503 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.5718 1

Activities

Activity type Activity value Assay description Source Reference
AbsAC1 (functional) = 6.07 uM PubChem BioAssay. Small Molecule Inhibitors of FGF22-Mediated Excitatory Synaptogenesis & Epilepsy Measured in Biochemical System Using RT-PCR - 7012-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 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 (binding) = 22.3872 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (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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