Detailed information for compound 448373

Basic information

Technical information
  • TDR Targets ID: 448373
  • Name: N-(4-chlorophenyl)-2-hydroxy-5-iodobenzamide
  • MW: 373.574 | Formula: C13H9ClINO2
  • H donors: 2 H acceptors: 2 LogP: 4.23 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)NC(=O)c1cc(I)ccc1O
  • InChi: 1S/C13H9ClINO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17/h1-7,17H,(H,16,18)
  • InChiKey: HXDYOSSLXZJTCX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-chlorophenyl)-2-hydroxy-5-iodo-benzamide

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
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0205 0.4459 0.3816
Schistosoma mansoni nuclear hormone receptor 0.0205 0.4459 0.3816
Echinococcus granulosus ecdysone induced protein 78C 0.0435 1 1
Brugia malayi tailless protein 0.0205 0.4459 0.4459
Brugia malayi conserved hypotetical protein 0.0205 0.4459 0.4459
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0205 0.4459 0.3816
Loa Loa (eye worm) hypothetical protein 0.0435 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0435 1 1
Loa Loa (eye worm) hypothetical protein 0.0205 0.4459 0.4459
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0435 1 1
Brugia malayi nuclear hormone receptor 0.0205 0.4459 0.4459
Schistosoma mansoni nuclear hormone receptor 0.0435 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0435 1 1
Brugia malayi hypothetical protein 0.0205 0.4459 0.4459
Onchocerca volvulus Bile acid receptor homolog 0.0435 1 1
Loa Loa (eye worm) hypothetical protein 0.0205 0.4459 0.4459
Loa Loa (eye worm) hypothetical protein 0.0205 0.4459 0.4459
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0435 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.1041 0.5
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0205 0.4459 0.3816
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0435 1 1
Trypanosoma brucei cytochrome P450, putative 0.002 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0435 1 1
Brugia malayi nuclear hormone receptor 0.0435 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0435 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0205 0.4459 0.3816
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0435 1 1
Schistosoma mansoni thyroid hormone receptor 0.0435 1 1
Loa Loa (eye worm) hypothetical protein 0.0435 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0435 1 1
Brugia malayi ecdysone receptor 0.0205 0.4459 0.4459
Loa Loa (eye worm) hypothetical protein 0.0205 0.4459 0.4459
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.023 0.5053 0.4478
Brugia malayi Cytochrome P450 family protein 0.0031 0.026 0.026
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0435 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0435 1 1
Loa Loa (eye worm) hypothetical protein 0.0205 0.4459 0.4459
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0205 0.4459 0.3816
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.1041 0.5
Brugia malayi Nuclear hormone receptor E75 0.0205 0.4459 0.4459
Loa Loa (eye worm) hypothetical protein 0.0205 0.4459 0.4459
Loa Loa (eye worm) hypothetical protein 0.023 0.5053 0.5053
Brugia malayi steroid hormone receptor 0.0435 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0435 1 1
Loa Loa (eye worm) hypothetical protein 0.0205 0.4459 0.4459
Brugia malayi hypothetical protein 0.023 0.5053 0.5053
Schistosoma mansoni retinoid-x-receptor (RXR) 0.023 0.5053 0.4478
Schistosoma mansoni nuclear receptor 0.0205 0.4459 0.3816
Loa Loa (eye worm) hypothetical protein 0.0205 0.4459 0.4459
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0435 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0205 0.4459 0.4459
Schistosoma mansoni retinoic acid receptor RXR 0.0435 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0205 0.4459 0.3816
Echinococcus multilocularis ecdysone induced protein 78C 0.0435 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0435 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0435 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0435 1 1
Loa Loa (eye worm) hypothetical protein 0.0435 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0435 1 1
Loa Loa (eye worm) hypothetical protein 0.0205 0.4459 0.4459
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0435 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0435 1 1
Brugia malayi nuclear receptor RXR 0.023 0.5053 0.5053
Echinococcus granulosus Nuclear hormone receptor HR96 0.0205 0.4459 0.3816
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0435 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0205 0.4459 0.3816
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0205 0.4459 0.4459
Brugia malayi hypothetical protein 0.023 0.5053 0.5053
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0435 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0435 1 1
Loa Loa (eye worm) DR-78 0.0205 0.4459 0.4459
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0435 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0435 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1041 1
Brugia malayi Nuclear hormone receptor E75 0.0205 0.4459 0.4459
Echinococcus granulosus Nuclear hormone receptor HR96 0.0205 0.4459 0.3816
Brugia malayi photoreceptor-specific nuclear receptor 0.0435 1 1
Brugia malayi nuclear receptor RXR 0.0205 0.4459 0.4459
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1041 1
Loa Loa (eye worm) hypothetical protein 0.0205 0.4459 0.4459
Loa Loa (eye worm) nuclear hormone receptor 0.0205 0.4459 0.4459
Echinococcus granulosus thyroid hormone receptor alpha 0.0205 0.4459 0.3816
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0435 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0435 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0205 0.4459 0.4459
Schistosoma mansoni thyroid hormone receptor 0.0435 1 1
Brugia malayi nuclear receptor NHR-88 0.0205 0.4459 0.4459
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0435 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.023 0.5053 0.4478
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.1041 1
Loa Loa (eye worm) hypothetical protein 0.023 0.5053 0.5053
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0435 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0205 0.4459 0.4459
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0435 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0205 0.4459 0.3816
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.023 0.5053 0.5053
Schistosoma mansoni coup transcription factor 0.0435 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0435 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0435 1 1
Loa Loa (eye worm) hypothetical protein 0.0435 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0205 0.4459 0.4459
Loa Loa (eye worm) hypothetical protein 0.0205 0.4459 0.4459
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0435 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0435 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0435 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0205 0.4459 0.3816
Loa Loa (eye worm) hypothetical protein 0.023 0.5053 0.5053
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.023 0.5053 0.4478
Loa Loa (eye worm) hypothetical protein 0.0435 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0435 1 1
Loa Loa (eye worm) hypothetical protein 0.023 0.5053 0.5053
Brugia malayi Nuclear hormone receptor-like 1 0.0435 1 1
Echinococcus granulosus FTZ F1 alpha 0.0435 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0205 0.4459 0.3816
Loa Loa (eye worm) hypothetical protein 0.023 0.5053 0.5053
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0435 1 1
Loa Loa (eye worm) hypothetical protein 0.0435 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0435 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0205 0.4459 0.3816
Brugia malayi orphan nuclear receptor NR2E1 0.0205 0.4459 0.4459
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0435 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0435 1 1
Trypanosoma cruzi cytochrome P450, putative 0.002 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0435 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0435 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0435 1 1
Schistosoma mansoni nuclear hormone receptor 0.0205 0.4459 0.3816
Schistosoma mansoni zinc finger protein 0.0205 0.4459 0.3816
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0435 1 1
Brugia malayi nuclear receptor NHR-88 0.0435 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.023 0.5053 0.5053
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0205 0.4459 0.3816
Brugia malayi nuclear receptor NHR-67 0.0205 0.4459 0.4459
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0435 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.023 0.5053 0.5053
Loa Loa (eye worm) hypothetical protein 0.0435 1 1
Loa Loa (eye worm) hypothetical protein 0.0205 0.4459 0.4459
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0435 1 1
Brugia malayi hypothetical protein 0.0205 0.4459 0.4459
Loa Loa (eye worm) hypothetical protein 0.0435 1 1
Onchocerca volvulus 0.0435 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0205 0.4459 0.4459
Trypanosoma cruzi cytochrome P450, putative 0.002 0 0.5
Schistosoma mansoni nuclear receptor 0.0205 0.4459 0.3816
Echinococcus multilocularis FTZ F1 alpha 0.0435 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1041 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0435 1 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 55 % Effect on T3S in Yersinia pseudotuberculosis 3 pIB29 assessed as inhibition of light emission at 0.5 uM by luciferase reporter gene assay ChEMBL. 17975903
Inhibition (binding) = 68 % Effect on T3S in Yersinia pseudotuberculosis 3 pIB29 assessed as inhibition of light emission at 1 uM by luciferase reporter gene assay ChEMBL. 17975903
Inhibition (binding) = 78 % Effect on T3S in Yersinia pseudotuberculosis 3 pIB29 assessed as inhibition of light emission at 100 uM by luciferase reporter gene assay ChEMBL. 17975903
Inhibition (binding) = 80 % Effect on T3S in Yersinia pseudotuberculosis 3 pIB29 assessed as inhibition of light emission at 50 uM by luciferase reporter gene assay ChEMBL. 17975903
Inhibition (binding) = 85 % Effect on T3S in Yersinia pseudotuberculosis 3 pIB29 assessed as inhibition of light emission at 20 uM by luciferase reporter gene assay ChEMBL. 17975903
Inhibition (binding) = 90 % Effect on T3S in Yersinia pseudotuberculosis 3 pIB29 assessed as inhibition of light emission at 2 uM by luciferase reporter gene assay ChEMBL. 17975903
Inhibition (binding) = 91 % Effect on T3S in Yersinia pseudotuberculosis 3 pIB29 assessed as inhibition of light emission at 10 uM by luciferase reporter gene assay ChEMBL. 17975903
Inhibition (binding) = 91 % Effect on T3S in Yersinia pseudotuberculosis 3 pIB29 assessed as inhibition of light emission at 5 uM by luciferase reporter gene assay ChEMBL. 17975903

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

1 literature reference was collected for this gene.

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