Detailed information for compound 1066064

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 459.342 | Formula: C18H22INO3S
  • H donors: 1 H acceptors: 1 LogP: 3.07 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCSCc1c(C)[nH]c(=O)c(c1Oc1cc(C)cc(c1)C)I
  • InChi: 1S/C18H22INO3S/c1-11-7-12(2)9-14(8-11)23-17-15(10-24-6-5-22-4)13(3)20-18(21)16(17)19/h7-9H,5-6,10H2,1-4H3,(H,20,21)
  • InChiKey: BZEVYDAGVXARBW-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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 steroid hormone receptor 0.0011 0.1332 0.266
Mycobacterium ulcerans hypothetical protein 0.0023 0.3449 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.1332 0.2484
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.2223 0.6071
Schistosoma mansoni intermediate filament proteins 0.0026 0.4023 0.4023
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.4023 0.9245
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.1332 0.266
Onchocerca volvulus 0.0026 0.4023 0.9245
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0362 0.0285
Schistosoma mansoni cpg binding protein 0.0029 0.4619 0.4619
Echinococcus multilocularis lamin 0.0026 0.4023 0.8636
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.05 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.1332 0.266
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.1332 0.266
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.05 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.1332 0.266
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.3449 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.3449 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.1332 0.2484
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.3449 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.4023 0.9245
Loa Loa (eye worm) hypothetical protein 0.0011 0.1332 0.266
Brugia malayi nuclear receptor RXR 0.0006 0.0362 0.0285
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.1332 0.266
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.1332 0.1332
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.1332 0.1332
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.1332 0.2484
Schistosoma mansoni lamin 0.0026 0.4023 0.4023
Echinococcus granulosus lamin dm0 0.0026 0.4023 0.8636
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.1332 0.2484
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.1332 0.266
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.05 0.0546
Brugia malayi hypothetical protein 0.0006 0.0362 0.0285
Onchocerca volvulus 0.0007 0.05 0.0625
Loa Loa (eye worm) hypothetical protein 0.0026 0.3936 0.9033
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0005 0.0245 0.0245
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.1566 0.302
Onchocerca volvulus 0.0028 0.4331 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.05 0.0546
Loa Loa (eye worm) hypothetical protein 0.0012 0.1479 0.302
Schistosoma mansoni thyroid hormone receptor 0.0011 0.1332 0.1332
Onchocerca volvulus 0.0026 0.4023 0.9245
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.05 0.0546
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.3449 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.2394 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.1332 0.2484
Brugia malayi CXXC zinc finger family protein 0.0028 0.4331 1
Schistosoma mansoni nuclear hormone receptor 0.0011 0.1332 0.1332
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0839 0.1358
Brugia malayi AMP-binding enzyme family protein 0.0007 0.05 0.0625
Loa Loa (eye worm) oxidoreductase 0.0007 0.05 0.0625
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.8854 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0531 0.0653
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.1818 0.385
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.1332 0.2484
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0839 0.1454
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.3449 1
Schistosoma mansoni coup transcription factor 0.0011 0.1332 0.1332
Loa Loa (eye worm) hypothetical protein 0.0007 0.05 0.0625
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0362 0.0285
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.1332 0.266
Loa Loa (eye worm) hypothetical protein 0.0006 0.0362 0.0285
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.05 0.05
Loa Loa (eye worm) intermediate filament protein 0.0026 0.4023 0.9245
Onchocerca volvulus 0.0023 0.3449 0.7841
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.05 0.0546
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.2394 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.1332 0.266
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.1332 0.266
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.2223 0.6071
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.3449 1
Schistosoma mansoni cpg binding protein 0.0029 0.4619 0.4619
Loa Loa (eye worm) hypothetical protein 0.0017 0.2394 0.5258
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.05 0.0546
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0005 0.0245 0.0245
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.05 0.0584
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.1332 0.2484
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.3449 1
Schistosoma mansoni nuclear receptor 0.0005 0.0245 0.0245
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.05 0.0546
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.1332 0.1332
Brugia malayi hypothetical protein 0.0006 0.0362 0.0285
Loa Loa (eye worm) hypothetical protein 0.0011 0.1332 0.266
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0531 0.0653
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.1332 0.2484
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0007 0.05 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.2394 0.5258
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.3449 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.4023 0.9245
Echinococcus granulosus cpg binding protein 0.0029 0.4619 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.3449 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0531 0.0531
Loa Loa (eye worm) hypothetical protein 0.0013 0.1566 0.3233
Echinococcus granulosus lamin 0.0026 0.4023 0.8636
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.1332 0.1332
Loa Loa (eye worm) hypothetical protein 0.0007 0.05 0.0625
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.3449 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.05 0.0546
Schistosoma mansoni nuclear receptor nhr-48 0.0005 0.0245 0.0245
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.1332 0.266
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.1332 0.266
Brugia malayi intermediate filament protein 0.0026 0.4023 0.9245
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.05 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.2394 0.5258
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.1332 0.266
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.05 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.05 1
Echinococcus multilocularis lamin dm0 0.0026 0.4023 0.8636
Onchocerca volvulus 0.0007 0.05 0.0625
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.05 0.0625
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.3449 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.2394 0.6617
Loa Loa (eye worm) hypothetical protein 0.0006 0.0362 0.0285
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.2223 0.6071
Loa Loa (eye worm) hypothetical protein 0.0006 0.0362 0.0285
Schistosoma mansoni nuclear receptor 0.0005 0.0245 0.0245
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.1818 0.385
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.1332 0.266
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.05 0.0546
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.1332 0.2484
Schistosoma mansoni zinc finger protein 0.0005 0.0245 0.0245
Brugia malayi F/Y-rich N-terminus family protein 0.0008 0.0819 0.1405
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0362 0.0362
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.1332 0.2484
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.3449 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0531 0.0653
Loa Loa (eye worm) hypothetical protein 0.0011 0.1332 0.266
Brugia malayi AMP-binding enzyme family protein 0.0007 0.05 0.0625
Onchocerca volvulus 0.0007 0.05 0.0625
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.4331 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.1332 0.266
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.3449 1
Echinococcus granulosus FTZ F1 alpha 0.0011 0.1332 0.2484
Schistosoma mansoni thyroid hormone receptor 0.0011 0.1332 0.1332
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.1332 0.2484
Echinococcus granulosus intermediate filament protein 0.0026 0.4023 0.8636
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.05 0.0584
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0362 0.0285
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.1332 0.266
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.2394 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.1332 0.266
Loa Loa (eye worm) hypothetical protein 0.0017 0.2394 0.5258
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.1332 0.2484
Loa Loa (eye worm) hypothetical protein 0.0011 0.1332 0.266
Loa Loa (eye worm) hypothetical protein 0.0023 0.3449 0.7841
Loa Loa (eye worm) hypothetical protein 0.0017 0.2394 0.5258
Loa Loa (eye worm) hypothetical protein 0.0011 0.1332 0.266
Loa Loa (eye worm) hypothetical protein 0.0011 0.1332 0.266
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.1332 0.266
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.2223 0.6071
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.1332 0.1332
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.1332 0.2484
Brugia malayi nuclear hormone receptor 0.0011 0.1332 0.266
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.2394 0.6421
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.1332 0.2484
Onchocerca volvulus 0.0011 0.1332 0.266
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.1566 0.302
Echinococcus multilocularis musashi 0.0026 0.4023 0.8636
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.1332 0.2484
Loa Loa (eye worm) hypothetical protein 0.0006 0.0362 0.0285
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0362 0.0362
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0245 0.0245
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.05 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.3449 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.1332 0.266
Loa Loa (eye worm) hypothetical protein 0.0012 0.1479 0.302
Brugia malayi AMP-binding enzyme family protein 0.0023 0.3449 0.7841
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.05 0.0546
Loa Loa (eye worm) hypothetical protein 0.0023 0.3449 0.7841
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.1332 0.1332
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0362 0.0266
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.05 0.0546
Brugia malayi nuclear receptor NHR-88 0.0011 0.1332 0.266
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.3449 1
Echinococcus multilocularis cpg binding protein 0.0029 0.4619 1
Schistosoma mansoni lamin 0.0026 0.4023 0.4023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.1332 0.266
Brugia malayi AMP-binding enzyme family protein 0.0023 0.3449 0.7841
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.1332 0.266
Brugia malayi AMP-binding enzyme family protein 0.0023 0.3449 0.7841
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.1332 0.266
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.1332 0.2484
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.1332 0.266
Onchocerca volvulus 0.0007 0.05 0.0625
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.1332 0.1332
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.1332 0.266
Loa Loa (eye worm) hypothetical protein 0.0011 0.1332 0.266
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.05 0.0625
Loa Loa (eye worm) hypothetical protein 0.0023 0.3449 0.7841
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.1332 0.1332
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.1332 0.266
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.1332 0.1332
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.05 0.0546
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0007 0.05 0.5
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.05 0.0625
Brugia malayi AMP-binding enzyme family protein 0.0007 0.05 0.0625
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.05 0.0625
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0531 0.0653
Loa Loa (eye worm) hypothetical protein 0.0006 0.0362 0.0285
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0839 0.1358
Brugia malayi ecdysteroid receptor 0.0011 0.1332 0.266
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.1332 0.266
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.3449 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.1332 0.266
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.1332 0.266
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.1332 0.2484
Schistosoma mansoni cpg binding protein 0.0028 0.4331 0.4331
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.3449 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0362 0.0266
Loa Loa (eye worm) hypothetical protein 0.0011 0.1332 0.266
Brugia malayi AMP-binding enzyme family protein 0.0007 0.05 0.0625
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0245 0.0245

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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