Detailed information for compound 510803

Basic information

Technical information
  • TDR Targets ID: 510803
  • Name: 6-chloro-5-(4-fluoroanilino)-2-pyridin-2-yl-1 H-benzimidazole-4,7-dione
  • MW: 368.749 | Formula: C18H10ClFN4O2
  • H donors: 2 H acceptors: 4 LogP: 3.57 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)NC1=C(Cl)C(=O)c2c(C1=O)[nH]c(n2)c1ccccn1
  • InChi: 1S/C18H10ClFN4O2/c19-12-13(22-10-6-4-9(20)5-7-10)17(26)15-14(16(12)25)23-18(24-15)11-3-1-2-8-21-11/h1-8,22H,(H,23,24)
  • InChiKey: MMCSEDHQQAKWNF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-chloro-5-(4-fluoroanilino)-2-(2-pyridyl)-1H-benzimidazole-4,7-dione
  • 6-chloro-5-[(4-fluorophenyl)amino]-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
  • 6-chloro-5-(4-fluoroanilino)-2-(2-pyridyl)-1H-benzimidazole-4,7-quinone
  • 6-chloro-5-[(4-fluorophenyl)amino]-2-(2-pyridyl)-1H-benzimidazole-4,7-dione
  • 6-chloro-5-[(4-fluorophenyl)amino]-2-(2-pyridyl)-1H-benzimidazole-4,7-quinone
  • AIDS-162590
  • AIDS162590
  • 5-Chloro-6-[(4-fluorophenyl)amino]-2-pyridin-2-yl-1H-benzimidazole-4,7-dione

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 tailless protein 0.0011 0.0093 0.0093
Schistosoma mansoni nuclear receptor 0.0011 0.0093 0.0274
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.338 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0011 0.0093 0.0274
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.1015 0.1015
Brugia malayi nuclear receptor RXR 0.0012 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.0012 0.0191 0.0191
Brugia malayi Nuclear hormone receptor E75 0.0011 0.0093 0.0093
Loa Loa (eye worm) MH2 domain-containing protein 0.0141 1 1
Brugia malayi hypothetical protein 0.0011 0.0093 0.0093
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.1015 0.1015
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0093
Brugia malayi nuclear receptor NHR-88 0.0011 0.0093 0.0093
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2503 0.7404
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0023 0.1015 0.3002
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 0.1015 0.3002
Entamoeba histolytica hypothetical protein 0.0043 0.2503 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.338 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0011 0.0093 0.0274
Onchocerca volvulus Protein ultraspiracle homolog 0.0023 0.1015 1
Schistosoma mansoni thyroid hormone receptor 0.0023 0.1015 0.3002
Brugia malayi orphan nuclear receptor NR2E1 0.0011 0.0093 0.0093
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.1015 0.3002
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0011 0.0093 0.0274
Entamoeba histolytica hypothetical protein 0.0043 0.2503 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0023 0.1015 0.3002
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0023 0.1015 0.3002
Brugia malayi nuclear hormone receptor family member nhr-6 0.0011 0.0093 0.0093
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.1015 0.1015
Echinococcus granulosus FTZ F1 alpha 0.0023 0.1015 0.3002
Echinococcus granulosus Nuclear hormone receptor HR96 0.0011 0.0093 0.0274
Brugia malayi hypothetical protein 0.0011 0.0093 0.0093
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0191 0.0566
Loa Loa (eye worm) hypothetical protein 0.0012 0.0191 0.0191
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.1015 0.1015
Loa Loa (eye worm) transcription factor SMAD2 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.1015 0.1015
Brugia malayi hypothetical protein 0.0012 0.0191 0.0191
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.1015 0.1015
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0093
Schistosoma mansoni thyroid hormone receptor 0.0023 0.1015 0.3002
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.1015 0.1015
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0093 0.0274
Schistosoma mansoni nuclear hormone receptor 0.0023 0.1015 0.3002
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0093
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0093 0.0274
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.1015 0.1015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 0.1015 0.1015
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2503 0.7404
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.338 1
Entamoeba histolytica hypothetical protein 0.0043 0.2503 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.1015 0.1015
Loa Loa (eye worm) hypothetical protein 0.0012 0.0191 0.0191
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.1015 0.1015
Brugia malayi ecdysone receptor 0.0011 0.0093 0.0093
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 0.1015 0.3002
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0093
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.1015 0.1015
Onchocerca volvulus 0.0023 0.1015 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2503 0.7404
Brugia malayi ecdysteroid receptor 0.0023 0.1015 0.1015
Loa Loa (eye worm) hypothetical protein 0.0023 0.1015 0.1015
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 0.1015 0.3002
Brugia malayi nuclear hormone receptor family member odr-7 0.0011 0.0093 0.0093
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0011 0.0093 0.0274
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.338 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0011 0.0093 0.0274
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0012 0.0191 0.0191
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0023 0.1015 0.3002
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0011 0.0093 0.0093
Schistosoma mansoni nuclear receptor nhr-48 0.0011 0.0093 0.0274
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.1015 0.1015
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0023 0.1015 0.3002
Loa Loa (eye worm) hypothetical protein 0.0023 0.1015 0.1015
Schistosoma mansoni RAR-like nuclear receptor 0.0023 0.1015 0.3002
Loa Loa (eye worm) nuclear receptor NHR-67 0.0011 0.0093 0.0093
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.338 0.338
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0093
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0011 0.0093 0.0274
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 0.1015 0.3002
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 0.1015 0.3002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0191 0.0191
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0011 0.0093 0.0093
Echinococcus multilocularis thyroid hormone receptor alpha 0.0023 0.1015 0.3002
Brugia malayi hypothetical protein 0.0012 0.0191 0.0191
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0011 0.0093 0.0274
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0093
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0093 0.0274
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.1015 0.3002
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0093
Entamoeba histolytica hypothetical protein 0.0043 0.2503 0.5
Echinococcus multilocularis nuclear receptor nhr 48 0.0011 0.0093 0.0274
Brugia malayi hypothetical protein 0.0043 0.2503 0.2503
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.0023 0.1015 0.1015
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.1015 0.1015
Schistosoma mansoni nuclear receptor 0.0011 0.0093 0.0274
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.1015 0.3002
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0023 0.1015 0.3002
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.1015 0.1015
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0012 0.0191 0.0566
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0093
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.1015 0.1015
Onchocerca volvulus Bile acid receptor homolog 0.0023 0.1015 1
Schistosoma mansoni coup transcription factor 0.0023 0.1015 0.3002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.1015 0.1015
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0023 0.1015 0.3002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.338 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.1015 0.3002
Echinococcus granulosus thyroid hormone receptor alpha 0.0011 0.0093 0.0274
Brugia malayi nuclear hormone receptor 0.0023 0.1015 0.1015
Loa Loa (eye worm) hypothetical protein 0.0023 0.1015 0.1015
Loa Loa (eye worm) hypothetical protein 0.0023 0.1015 0.1015
Brugia malayi conserved hypotetical protein 0.0011 0.0093 0.0093
Brugia malayi steroid hormone receptor 0.0023 0.1015 0.1015
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 0.1015 0.3002
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.1015 0.1015
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.1015 0.1015
Schistosoma mansoni zinc finger protein 0.0011 0.0093 0.0274
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.338 1
Brugia malayi nuclear hormone receptor 0.0011 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0093
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.1015 0.1015
Echinococcus multilocularis FTZ F1 alpha 0.0023 0.1015 0.3002
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.1015 0.1015
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.1015 0.1015
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0093
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.338 0.338
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0012 0.0191 0.0191
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0011 0.0093 0.0274
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.1015 0.1015
Brugia malayi nuclear receptor NHR-88 0.0023 0.1015 0.1015
Loa Loa (eye worm) nuclear hormone receptor 0.0011 0.0093 0.0093
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.1015 0.3002
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0012 0.0191 0.0566
Schistosoma mansoni retinoic acid receptor RXR 0.0023 0.1015 0.3002
Loa Loa (eye worm) hypothetical protein 0.0023 0.1015 0.1015
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0191 0.0191
Echinococcus granulosus nuclear receptor nhr 48 0.0011 0.0093 0.0274
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0023 0.1015 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.1015 0.1015
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0023 0.1015 0.3002
Loa Loa (eye worm) DR-78 0.0011 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0011 0.0093 0.0093
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0012 0.0191 0.0566
Echinococcus granulosus ecdysone induced protein 78C 0.0023 0.1015 0.3002
Brugia malayi Nuclear hormone receptor E75 0.0011 0.0093 0.0093
Schistosoma mansoni steroid hormone receptor ad4bp 0.0023 0.1015 0.3002
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.1015 0.1015
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0023 0.1015 0.3002
Schistosoma mansoni hypothetical protein 0.0043 0.2503 0.7404
Brugia malayi nuclear receptor RXR 0.0011 0.0093 0.0093
Brugia malayi nuclear receptor NHR-67 0.0011 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0023 0.1015 0.1015
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0093 0.0274

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 9.4 uM Antiproliferative activity against PDGF-induced rat aortic VSMC by colorimetric assay ChEMBL. 18400498
MIC (functional) = 3.2 ug ml-1 In vitro antifungal activity against Candida tropicalis ATCC 28775 was measured ChEMBL. 12467608
MIC (functional) = 6.3 ug ml-1 In vitro antifungal activity against Candida krusei ATCC 749 was measured ChEMBL. 12467608
MIC (functional) = 12.5 ug ml-1 In vitro antifungal activity against Candida albicans ATCC 10231 was measured ChEMBL. 12467608
MIC (functional) = 12.5 ug ml-1 In vitro antifungal activity against Candida albicans ATCC 10231 was measured ChEMBL. 12467608
MIC (functional) = 25 ug ml-1 In vitro antifungal activity against Aspergillus niger KCTC 1231 was measured ChEMBL. 12467608

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

2 literature references were collected for this gene.

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