Detailed information for compound 716108

Basic information

Technical information
  • TDR Targets ID: 716108
  • Name: N-[4-[(4-cyano-2-fluorobenzoyl)amino]-2-metho xyphenyl]-1-benzofuran-2-carboxamide
  • MW: 429.4 | Formula: C24H16FN3O4
  • H donors: 2 H acceptors: 3 LogP: 4.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(c(c1)F)C(=O)Nc1ccc(c(c1)OC)NC(=O)c1cc2c(o1)cccc2
  • InChi: 1S/C24H16FN3O4/c1-31-21-12-16(27-23(29)17-8-6-14(13-26)10-18(17)25)7-9-19(21)28-24(30)22-11-15-4-2-3-5-20(15)32-22/h2-12H,1H3,(H,27,29)(H,28,30)
  • InChiKey: JNAVMFHILLXNEF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[(4-cyano-2-fluoro-benzoyl)amino]-2-methoxy-phenyl]benzofuran-2-carboxamide
  • N-[4-[[(4-cyano-2-fluorophenyl)-oxomethyl]amino]-2-methoxyphenyl]-2-benzofurancarboxamide
  • N-[4-[(4-cyano-2-fluoro-phenyl)carbonylamino]-2-methoxy-phenyl]-1-benzofuran-2-carboxamide
  • ZINC02884213

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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.249 0.7571
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0545 0.1657
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.7701 1
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.2299 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3289 0.3289
Entamoeba histolytica hypothetical protein 0.0035 0.1341 1
Schistosoma mansoni hypothetical protein 0.0035 0.1316 0.1316
Brugia malayi hypothetical protein 0.0035 0.1341 0.4078
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0 0.5
Trichomonas vaginalis mercuric reductase, putative 0.0017 0 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.2299 0.699
Entamoeba histolytica hypothetical protein 0.0035 0.1341 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.7701 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3289 0.3289
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.249 0.7495
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0545 0.237
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.2299 0.699
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0545 0.0707
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.2299 0.2985
Mycobacterium tuberculosis Probable reductase 0.0111 0.6806 0.8837
Mycobacterium ulcerans hypothetical protein 0.0024 0.0545 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0545 0.1398
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0545 1
Plasmodium falciparum glutathione reductase 0.0049 0.2299 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0099 0.043
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.249 0.7571
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.6806 0.8837
Brugia malayi TAR-binding protein 0.0062 0.3289 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0099 0.1815
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0111 0.6806 0.8749
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0545 0.0707
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.2299 0.6897
Trichomonas vaginalis glutathione reductase, putative 0.0017 0 0.5
Treponema pallidum NADH oxidase 0.0017 0 0.5
Toxoplasma gondii thioredoxin reductase 0.0049 0.2299 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0545 0.1398
Brugia malayi glutathione reductase 0.0049 0.2299 0.699
Loa Loa (eye worm) hypothetical protein 0.0024 0.0545 0.1398
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.6806 0.8837
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3289 0.3289
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0545 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.3289 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0035
Onchocerca volvulus 0.0024 0.0545 0.5
Loa Loa (eye worm) RNA binding protein 0.0062 0.3289 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0035
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.2299 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0545 0.237
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3289 0.3289
Brugia malayi Thioredoxin reductase 0.0049 0.2299 0.699
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.6806 0.8837
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.1341 0.4078
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.3289 1
Entamoeba histolytica hypothetical protein 0.0035 0.1341 1
Entamoeba histolytica hypothetical protein 0.0035 0.1341 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0545 0.237
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.6806 0.8837
Echinococcus granulosus tar DNA binding protein 0.0062 0.3289 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.249 0.7495
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.7701 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.3289 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0545 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1316 0.3816
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.1316 0.4002
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0545 1
Plasmodium falciparum thioredoxin reductase 0.0049 0.2299 1
Plasmodium vivax glutathione reductase, putative 0.0049 0.2299 1
Brugia malayi RNA binding protein 0.0062 0.3289 1
Loa Loa (eye worm) glutathione reductase 0.0049 0.2299 0.6897
Trypanosoma brucei trypanothione reductase 0.0049 0.2299 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0545 0.1657
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3289 0.3289
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0545 0.1657
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.1341 0.4078
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0099 0.0128
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0545 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0035
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0545 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0099 1
Schistosoma mansoni hypothetical protein 0.0035 0.1341 0.1341
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.6806 0.8837
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0545 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.7701 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.3289 1
Leishmania major trypanothione reductase 0.0049 0.2299 1
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0099 0.043
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0035
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1341 0.1341

Activities

No activities found for this compound.

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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