Detailed information for compound 1760966

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 326.822 | Formula: C13H11ClN2O2S2
  • H donors: 1 H acceptors: 2 LogP: 3.64 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Nc1sc2c(n1)c1cc(Cl)ccc1SC2
  • InChi: 1S/C13H11ClN2O2S2/c1-2-18-13(17)16-12-15-11-8-5-7(14)3-4-9(8)19-6-10(11)20-12/h3-5H,2,6H2,1H3,(H,15,16,17)
  • InChiKey: GYCALERQLCCTGX-UHFFFAOYSA-N  


Substructure search Similarity search

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 0.017 0.1093 0.1093
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.1403 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.016 0.016
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.017 0.1093 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.1403 1 1
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.017 0.1093 0.5
Echinococcus granulosus isocitrate dehydrogenase NAD 0.017 0.1093 0.1093
Brugia malayi Probable isocitrate dehydrogenase 0.017 0.1093 0.1093
Brugia malayi hypothetical protein 0.0031 0.0083 0.0083
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.017 0.1093 0.1093
Trypanosoma brucei isocitrate dehydrogenase, putative 0.1403 1 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.017 0.1093 0.1093
Leishmania major isocitrate dehydrogenase, putative 0.017 0.1093 0.1019
Brugia malayi Isocitrate dehydrogenase 0.1403 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.016 0.016
Loa Loa (eye worm) MH2 domain-containing protein 0.0145 0.0907 0.0907
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.1403 1 1
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.017 0.1093 0.1093
Loa Loa (eye worm) hypothetical protein 0.0031 0.0083 0.0083
Loa Loa (eye worm) transcription factor SMAD2 0.0145 0.0907 0.0907
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.1403 1 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.017 0.1093 0.1093
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.1403 1 1
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.017 0.1093 0.5
Entamoeba histolytica tartrate dehydrogenase, putative 0.017 0.1093 0.5
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.017 0.1093 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.1403 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0298 0.0298
Brugia malayi hypothetical protein 0.002 0.0004 0.0004
Brugia malayi MH2 domain containing protein 0.0145 0.0907 0.0907
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.1403 1 1
Brugia malayi Probable isocitrate dehydrogenase 0.017 0.1093 0.1093
Schistosoma mansoni unc-13 (munc13) 0.017 0.1093 0.1093
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.1403 1 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.017 0.1093 0.1093
Echinococcus multilocularis isocitrate dehydrogenase 0.1403 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0298 0.0298
Schistosoma mansoni hypothetical protein 0.0041 0.016 0.016
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0298 0.0298
Schistosoma mansoni isocitrate dehydrogenase 0.017 0.1093 0.1093
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.1403 1 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.1403 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0298 0.0298
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0982 0.696 0.696
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.1403 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.1403 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.1403 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.1403 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.1403 1 1
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.017 0.1093 0.1093
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.017 0.1093 0.1093
Loa Loa (eye worm) isocitrate dehydrogenase 0.1403 1 1
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.017 0.1093 0.1093

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6.5 uM Antiproliferative activity against human HeLa cells assessed as inhibition of [3H]thymidine incorporation incubated for 24 hrs prior to [3H]thymidine addition measured after 6 hrs by microbeta counting analysis ChEMBL. 23518276

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23518276

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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