Detailed information for compound 1510012

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 343.738 | Formula: C7H11ClNNaO7S2
  • H donors: 1 H acceptors: 6 LogP: -0.97 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1OCC(N1Cl)(C)CS(=O)(=O)CCS(=O)(=O)[O-].[Na+]
  • InChi: 1S/C7H12ClNO7S2.Na/c1-7(4-16-6(10)9(7)8)5-17(11,12)2-3-18(13,14)15;/h2-5H2,1H3,(H,13,14,15);/q;+1/p-1
  • InChiKey: GUINNAQZEAVLCT-UHFFFAOYSA-M  

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
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0023 0.0379 0.0426
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0029 0.1382 0.1555
Echinococcus multilocularis FTZ F1 alpha 0.0043 0.354 0.3981
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0043 0.354 0.3981
Brugia malayi steroid hormone receptor 0.0043 0.354 0.3981
Loa Loa (eye worm) hypothetical protein 0.0043 0.354 0.3981
Echinococcus granulosus FTZ F1 alpha 0.0043 0.354 0.3981
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0043 0.354 0.3981
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.1898 0.2135
Leishmania major cytochrome p450-like protein 0.0032 0.1898 1
Schistosoma mansoni hypothetical protein 0.0029 0.1382 0.1382
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0043 0.354 0.3981
Loa Loa (eye worm) hypothetical protein 0.0043 0.354 0.3981
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0043 0.354 0.3981
Echinococcus multilocularis ecdysone induced protein 78C 0.0043 0.354 0.3981
Schistosoma mansoni thyroid hormone receptor 0.0043 0.354 0.354
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0023 0.0379 0.0379
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0043 0.354 0.3981
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0043 0.354 0.3981
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0043 0.354 0.3981
Schistosoma mansoni steroid hormone receptor ad4bp 0.0043 0.354 0.354
Loa Loa (eye worm) hypothetical protein 0.0023 0.0379 0.0426
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0023 0.0379 0.0426
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0043 0.354 0.3981
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.1898 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0043 0.354 1
Schistosoma mansoni nuclear hormone receptor 0.0043 0.354 0.354
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0379 0.0379
Loa Loa (eye worm) hypothetical protein 0.0043 0.354 0.3981
Loa Loa (eye worm) hypothetical protein 0.0043 0.354 0.3981
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0043 0.354 0.3981
Brugia malayi Cytochrome P450 family protein 0.0032 0.1898 0.2135
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0043 0.354 0.3981
Onchocerca volvulus 0.0043 0.354 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0077 0.8893 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0043 0.354 0.3981
Loa Loa (eye worm) steroid hormone receptor 0.0043 0.354 0.3981
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0043 0.354 0.3981
Loa Loa (eye worm) hypothetical protein 0.0043 0.354 0.3981
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0043 0.354 0.3981
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0043 0.354 0.3981
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0023 0.0379 0.0426
Brugia malayi hypothetical protein 0.0023 0.0379 0.0426
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0043 0.354 0.3981
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.2108 0.2371
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0043 0.354 0.3981
Loa Loa (eye worm) hypothetical protein 0.0043 0.354 0.3981
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0043 0.354 0.354
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0043 0.354 0.3981
Loa Loa (eye worm) hypothetical protein 0.0043 0.354 0.3981
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0077 0.8893 1
Brugia malayi ecdysteroid receptor 0.0043 0.354 0.3981
Entamoeba histolytica DNA repair and recombination protein, putative 0.0029 0.1382 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0043 0.354 0.3981
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0043 0.354 0.3981
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0022 0.0331 0.0373
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0379 0.0426
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0032 0.1898 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0043 0.354 0.3981
Loa Loa (eye worm) hypothetical protein 0.0023 0.0379 0.0426
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0043 0.354 0.3981
Echinococcus multilocularis voltage gated potassium channel 0.0022 0.0331 0.0373
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0043 0.354 0.354
Brugia malayi Steroid receptor seven-up type 2 0.0043 0.354 0.3981
Brugia malayi nuclear receptor RXR 0.0023 0.0379 0.0426
Loa Loa (eye worm) hypothetical protein 0.0023 0.0379 0.0426
Onchocerca volvulus Protein ultraspiracle homolog 0.0043 0.354 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0043 0.354 0.3981
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.354 0.3981
Brugia malayi photoreceptor-specific nuclear receptor 0.0043 0.354 0.3981
Loa Loa (eye worm) CYP4Cod1 0.0032 0.1898 0.2135
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0043 0.354 0.3981
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0043 0.354 0.354
Giardia lamblia Rrm3p helicase 0.0029 0.1382 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0072 0.81 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0043 0.354 0.3981
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0043 0.354 0.3981
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0077 0.8893 1
Brugia malayi nuclear receptor NHR-88 0.0043 0.354 0.3981
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0043 0.354 0.354
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.1898 1
Brugia malayi Cytochrome P450 family protein 0.0032 0.1898 0.2135
Echinococcus multilocularis thyroid hormone receptor alpha 0.0043 0.354 0.3981
Echinococcus granulosus voltage gated potassium channel 0.0022 0.0331 0.0373
Echinococcus granulosus ecdysone induced protein 78C 0.0043 0.354 0.3981
Schistosoma mansoni RAR-like nuclear receptor 0.0043 0.354 0.354
Schistosoma mansoni retinoic acid receptor RXR 0.0043 0.354 0.354
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0043 0.354 0.3981
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0022 0.0331 0.0373
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0043 0.354 0.354
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0029 0.1382 0.1555
Brugia malayi nuclear hormone receptor 0.0043 0.354 0.3981
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.1898 0.2135
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0077 0.8893 1
Trypanosoma brucei cytochrome P450, putative 0.0032 0.1898 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0043 0.354 0.3981
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0043 0.354 0.3981
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0043 0.354 0.3981
Onchocerca volvulus Bile acid receptor homolog 0.0043 0.354 1
Brugia malayi hypothetical protein 0.0023 0.0379 0.0426
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0331 0.0331
Loa Loa (eye worm) hypothetical protein 0.0023 0.0379 0.0426
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0022 0.0331 0.0373
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0043 0.354 0.3981
Schistosoma mansoni thyroid hormone receptor 0.0043 0.354 0.354
Loa Loa (eye worm) hypothetical protein 0.0043 0.354 0.3981
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0043 0.354 0.3981
Brugia malayi Cytochrome P450 family protein 0.0034 0.2108 0.2371
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0043 0.354 0.3981
Entamoeba histolytica hypothetical protein, conserved 0.0029 0.1382 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0072 0.81 1
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0331 0.0331
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0043 0.354 0.354
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0043 0.354 0.3981
Loa Loa (eye worm) hypothetical protein 0.0067 0.7301 0.821
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0379 0.0426
Loa Loa (eye worm) hypothetical protein 0.0022 0.0331 0.0373
Loa Loa (eye worm) hypothetical protein 0.0023 0.0379 0.0426
Schistosoma mansoni coup transcription factor 0.0043 0.354 0.354

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 0.6 mM Cytotoxicity against mouse L929 cells after 1 hr at pH 7 by Dojindo cell proliferation assay ChEMBL. 21470861
MBC (functional) = 16 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 at pH 7 by CLSI M26A method ChEMBL. 21470861
MFC (functional) = 128 ug ml-1 Antifungal activity against Candida albicans ATCC 10231 at pH 7 by CLSI M26A method ChEMBL. 21470861

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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