Detailed information for compound 1540290

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 387.324 | Formula: C17H20Cl2N2O2S
  • H donors: 0 H acceptors: 2 LogP: 4.49 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(C(=O)c1sc(=O)n(c1C)Cc1ccc(c(c1)Cl)Cl)C
  • InChi: 1S/C17H20Cl2N2O2S/c1-4-5-8-20(3)16(22)15-11(2)21(17(23)24-15)10-12-6-7-13(18)14(19)9-12/h6-7,9H,4-5,8,10H2,1-3H3
  • InChiKey: FXPKQVFUTRPOQH-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
Loa Loa (eye worm) hypothetical protein 0.0019 0.0572 0.1588
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0036 0.3602 1
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0016 0 0.5
Trypanosoma cruzi hexose transporter, putative 0.0016 0 0.5
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0017 0.0208 0.0579
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0036 0.3602 0.3602
Trypanosoma brucei glucose transporter 1E 0.0016 0 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0036 0.3602 1
Leishmania major glucose transporter, lmgt3 0.0016 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0208 0.0579
Brugia malayi Steroid receptor seven-up type 2 0.0036 0.3602 1
Trypanosoma cruzi hexose transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0071 1 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Brugia malayi hypothetical protein 0.0017 0.0208 0.0579
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.3602 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0036 0.3602 0.3602
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0017 0.0208 0.0208
Leishmania major hypothetical protein, conserved 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0036 0.3602 1
Onchocerca volvulus 0.0017 0.0208 0.0579
Onchocerca volvulus Protein ultraspiracle homolog 0.0036 0.3602 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0017 0.0208 0.0579
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Trypanosoma cruzi sugar transporter, putative 0.0016 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0017 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Trypanosoma cruzi hexose transporter, putative 0.0016 0 0.5
Schistosoma mansoni nuclear receptor 0.0017 0.0208 0.0579
Echinococcus granulosus thyroid hormone receptor alpha 0.0017 0.0208 0.0208
Brugia malayi steroid hormone receptor 0.0036 0.3602 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0036 0.3602 0.3602
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0017 0.0208 0.0579
Schistosoma mansoni coup transcription factor 0.0036 0.3602 1
Brugia malayi nuclear hormone receptor 0.0036 0.3602 1
Brugia malayi Nuclear hormone receptor E75 0.0017 0.0208 0.0579
Onchocerca volvulus Bile acid receptor homolog 0.0036 0.3602 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.3602 0.3602
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Brugia malayi hypothetical protein 0.0017 0.0208 0.0579
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0036 0.3602 0.3602
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0036 0.3602 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0036 0.3602 1
Brugia malayi Nuclear hormone receptor E75 0.0017 0.0208 0.0579
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.3602 1
Schistosoma mansoni nuclear hormone receptor 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0036 0.3602 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0016 0 0.5
Leishmania major myo-inositol/proton symporter (MIT) 0.0016 0 0.5
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0036 0.3602 1
Toxoplasma gondii transporter, major facilitator family protein 0.0016 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0036 0.3602 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0036 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0572 0.1588
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0572 0.1588
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Echinococcus granulosus nuclear receptor nhr 48 0.0017 0.0208 0.0208
Schistosoma mansoni thyroid hormone receptor 0.0036 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0572 0.1588
Brugia malayi nuclear receptor NHR-67 0.0017 0.0208 0.0579
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0036 0.3602 1
Loa Loa (eye worm) nuclear hormone receptor 0.0017 0.0208 0.0579
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0016 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0036 0.3602 1
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0016 0 0.5
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0016 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0036 0.3602 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Leishmania major glucose transporter, lmgt1 0.0016 0 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0036 0.3602 0.3602
Trypanosoma cruzi glucose transporter, putative 0.0016 0 0.5
Brugia malayi nuclear receptor NHR-88 0.0017 0.0208 0.0579
Brugia malayi hypothetical protein 0.0019 0.0572 0.1588
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Trichomonas vaginalis myo-inositol transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0017 0.0208 0.0579
Onchocerca volvulus 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Trichomonas vaginalis glucose transporter, putative 0.0016 0 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.0017 0.0208 0.0208
Leishmania major glucose transporter/membrane transporter D2, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0036 0.3602 0.3602
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Brugia malayi conserved hypotetical protein 0.0017 0.0208 0.0579
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0017 0.0208 0.0208
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.0017 0.0208 0.0208
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0036 0.3602 0.3602
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0036 0.3602 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0036 0.3602 0.3602
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Toxoplasma gondii sugar transporter ST3 0.0016 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Toxoplasma gondii facilitative glucose transporter GT1 0.0016 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0036 0.3602 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0036 0.3602 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0036 0.3602 0.3602
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0036 0.3602 0.3602
Trypanosoma cruzi hexose transporter, putative 0.0016 0 0.5
Trypanosoma brucei glucose transporter 2A 0.0016 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.3602 0.3602
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Echinococcus multilocularis nuclear receptor nhr 48 0.0017 0.0208 0.0208
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Brugia malayi hypothetical protein 0.0019 0.0572 0.1588
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Giardia lamblia Sugar-proton symporter 0.0016 0 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0019 0.0572 0.1588
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0036 0.3602 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.3602 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0017 0.0208 0.0579
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0019 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0019 0.0572 0.1588
Brugia malayi ecdysteroid receptor 0.0036 0.3602 1
Trypanosoma brucei sugar transporter, putative 0.0016 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.3602 1
Brugia malayi nuclear receptor RXR 0.0017 0.0208 0.0579
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0017 0.0208 0.0579
Trichomonas vaginalis glucose transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0036 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transport protein, putative 0.0016 0 0.5
Brugia malayi ecdysone receptor 0.0017 0.0208 0.0579
Toxoplasma gondii sugar transporter ST2 0.0016 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.3602 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0017 0.0208 0.0579
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0016 0 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0036 0.3602 0.3602
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0036 0.3602 0.3602
Plasmodium falciparum hexose transporter 0.0016 0 0.5
Brugia malayi nuclear receptor RXR 0.0019 0.0572 0.1588
Brugia malayi nuclear hormone receptor 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Plasmodium vivax hexose transporter 0.0016 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Brugia malayi nuclear hormone receptor family member odr-7 0.0017 0.0208 0.0579
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0036 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0036 0.3602 1
Schistosoma mansoni zinc finger protein 0.0017 0.0208 0.0579
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.3602 0.3602
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0017 0.0208 0.0208
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0208 0.0579
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0036 0.3602 0.3602
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0208 0.0208
Mycobacterium ulcerans sugar transporter 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0036 0.3602 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0019 0.0572 0.1588
Brugia malayi tailless protein 0.0017 0.0208 0.0579
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0572 0.1588
Schistosoma mansoni nuclear receptor nhr-48 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trypanosoma cruzi hexose transporter 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Plasmodium vivax sugar transporter, putative 0.0016 0 0.5
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Giardia lamblia Hexose transporter 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.3602 0.3602
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0017 0.0208 0.0579
Schistosoma mansoni RAR-like nuclear receptor 0.0036 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0572 0.1588
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Toxoplasma gondii sugar transporter ST1 0.0016 0 0.5
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0017 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Onchocerca volvulus 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.3602 1
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Schistosoma mansoni nuclear receptor 0.0017 0.0208 0.0579
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0572 0.1588
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0036 0.3602 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.0036 0.3602 0.3602
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0019 0.0572 0.0572
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0036 0.3602 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0036 0.3602 1
Loa Loa (eye worm) DR-78 0.0017 0.0208 0.0579
Trypanosoma brucei glucose transporter, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0208 0.0579
Trichomonas vaginalis sugar transporter, putative 0.0016 0 0.5
Mycobacterium ulcerans integral membrane transport protein 0.0016 0 0.5
Leishmania major glucose transporter, lmgt2 0.0016 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Brugia malayi nuclear receptor NHR-88 0.0036 0.3602 1
Trichomonas vaginalis glucose transporter, putative 0.0016 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Brugia malayi orphan nuclear receptor NR2E1 0.0017 0.0208 0.0579

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference

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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