Detailed information for compound 670824

Basic information

Technical information
  • TDR Targets ID: 670824
  • Name: Oprea1_196463
  • MW: 397.514 | Formula: C20H19N3O2S2
  • H donors: 1 H acceptors: 2 LogP: 4.07 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)c1CCCc1s2
  • InChi: 1S/C20H19N3O2S2/c1-2-11-23-19(25)17-14-9-6-10-15(14)27-18(17)22-20(23)26-12-16(24)21-13-7-4-3-5-8-13/h2-5,7-8H,1,6,9-12H2,(H,21,24)
  • InChiKey: JVXDYBJYRMSBMF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00628136
  • BAS 04913262
  • ChemDiv1_008895
  • AF-399/15031022
  • ST5049280

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 granulosus microtubule associated protein 2 0.067 0.4985 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.1955 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0262 0.1305
Entamoeba histolytica fatty acid elongase, putative 0.0168 0.0947 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.023 0.1446 0.9824
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.1293 1 1
Entamoeba histolytica fatty acid elongase, putative 0.0168 0.0947 0.5
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.1293 1 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0293 0.1955 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.0262 0.121
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.0712 0.3643
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0161 0.0895 1
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0161 0.0895 0.1661
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0233 0.147 0.2833
Brugia malayi Protein kinase domain containing protein 0.0161 0.0895 0.5818
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0062 0.0096 0.0107
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0161 0.0895 0.1661
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0062 0.0096 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1293 1 1
Schistosoma mansoni microtubule-associated protein tau 0.067 0.4985 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.0262 0.037
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.1443 0.2777
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.1293 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.1955 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.0712 0.3316
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0096 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.1443 0.2777
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0062 0.0096 0.049
Echinococcus granulosus c-Jun N-terminal kinases 0.0233 0.147 0.2833
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0161 0.0895 0.5863
Giardia lamblia Kinase, CMGC CLK 0.0062 0.0096 0.5
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.1293 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0161 0.0895 0.1635
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0161 0.0895 0.5863
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0062 0.0096 0.049
Loa Loa (eye worm) hypothetical protein 0.0229 0.1443 0.9803
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0169 0.096 0.6326
Brugia malayi follicle stimulating hormone receptor 0.023 0.1446 0.9823
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.0712 0.3316
Brugia malayi Protein kinase domain containing protein 0.0169 0.096 0.6286
Schistosoma mansoni serine/threonine protein kinase 0.0233 0.147 0.2811
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1293 1 1
Onchocerca volvulus Huntingtin homolog 0.0122 0.0578 0.4983
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0161 0.0895 0.5818
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0062 0.0096 0.049
Leishmania major mitochondrial DNA polymerase beta 0.0293 0.1955 1
Entamoeba histolytica fatty acid elongase, putative 0.0168 0.0947 0.5
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.1293 1 1
Onchocerca volvulus Huntingtin homolog 0.0122 0.0578 0.4983
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.0262 0.034
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0062 0.0096 0.049
Loa Loa (eye worm) hypothetical protein 0.0122 0.0578 0.3576
Loa Loa (eye worm) hypothetical protein 0.0122 0.0578 0.3576
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0233 0.147 1
Entamoeba histolytica fatty acid elongase, putative 0.0168 0.0947 0.5
Brugia malayi Stress-activated protein kinase jnk-1 0.0233 0.147 1
Entamoeba histolytica fatty acid elongase, putative 0.0168 0.0947 0.5
Echinococcus granulosus dual specificity protein kinase clk2 0.0062 0.0096 0.003
Schistosoma mansoni serine/threonine protein kinase 0.0169 0.096 0.1767
Echinococcus multilocularis microtubule associated protein 2 0.067 0.4985 1
Brugia malayi hypothetical protein 0.0122 0.0578 0.3506
Brugia malayi hypothetical protein 0.0229 0.1443 0.98
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.0262 0.037
Echinococcus multilocularis tumor protein p63 0.0328 0.2235 0.4392
Echinococcus multilocularis dual specificity protein kinase clk2 0.0062 0.0096 0.003
Echinococcus granulosus tumor protein p63 0.0328 0.2235 0.4392

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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