Detailed information for compound 458202

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 433.427 | Formula: C19H10F3N3O2S2
  • H donors: 0 H acceptors: 2 LogP: 5.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC(F)(F)F)cccc3
  • InChi: 1S/C19H10F3N3O2S2/c20-19(21,22)27-12-7-5-11(6-8-12)25-17(26)15-13-3-1-2-4-14(13)29-16(15)24-18(25)28-10-9-23/h1-8H,10H2
  • InChiKey: LAOCYCSJAWUIGG-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
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0049 0.5271 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0044 0.4416 0.8342
Trypanosoma brucei squalene synthase, putative 0.0077 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0049 0.5271 1
Plasmodium falciparum thioredoxin reductase 0.0019 0.011 0.5
Echinococcus granulosus Squalene phytoene synthase 0.0024 0.0879 0.2538
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0039 0.3463 1
Leishmania major hypothetical protein, conserved 0.0024 0.0879 0.0778
Brugia malayi glutathione reductase 0.0019 0.011 0.0317
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0044 0.4416 0.8342
Schistosoma mansoni hypothetical protein 0.0024 0.0879 0.1177
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0044 0.4416 0.8342
Entamoeba histolytica serine/threonine protein kinase, putative 0.0039 0.3463 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0019 0.011 0.0317
Trichomonas vaginalis CAMK family protein kinase 0.0039 0.3463 1
Trypanosoma brucei polo-like protein kinase 0.0039 0.3463 0.3391
Loa Loa (eye worm) hypothetical protein 0.0024 0.0879 0.2538
Trichomonas vaginalis CAMK family protein kinase 0.0039 0.3463 1
Trichomonas vaginalis CAMK family protein kinase 0.0039 0.3463 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0039 0.3463 0.3391
Trypanosoma cruzi squalene synthase, putative 0.0077 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0044 0.4416 0.8342
Giardia lamblia Kinase, PLK 0.0039 0.3463 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0049 0.5271 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0039 0.3463 1
Trypanosoma cruzi squalene synthase, putative 0.0077 1 1
Echinococcus multilocularis Squalene phytoene synthase 0.0024 0.0879 0.2538
Brugia malayi serine/threonine-protein kinase plk-2 0.0039 0.3463 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0039 0.3463 1
Mycobacterium ulcerans phytoene synthase, CrtB 0.0024 0.0879 0.5
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.0024 0.0879 0.149
Mycobacterium tuberculosis Probable reductase 0.0044 0.4416 0.8342
Trypanosoma cruzi polo-like protein kinase, putative 0.0039 0.3463 0.3391
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0039 0.3463 0.3391
Schistosoma mansoni kinase 0.002 0.0161 0.0216
Plasmodium vivax thioredoxin reductase, putative 0.0019 0.011 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0049 0.5271 1
Trypanosoma cruzi phytoene synthase, putative 0.0024 0.0879 0.0778
Mycobacterium tuberculosis Probable dehydrogenase 0.0044 0.4416 0.8342
Trichomonas vaginalis CAMK family protein kinase 0.0039 0.3463 1
Toxoplasma gondii thioredoxin reductase 0.0019 0.011 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0039 0.3463 1
Plasmodium falciparum glutathione reductase 0.0019 0.011 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0019 0.011 0.0317
Trichomonas vaginalis CAMK family protein kinase 0.0039 0.3463 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0019 0.011 0.0317
Brugia malayi Thioredoxin reductase 0.0019 0.011 0.0317
Trichomonas vaginalis CAMK family protein kinase 0.0039 0.3463 1
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.3463 0.4637
Plasmodium vivax glutathione reductase, putative 0.0019 0.011 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0039 0.3463 1
Loa Loa (eye worm) glutathione reductase 0.0019 0.011 0.0317

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Inhibition of TNFalpha-induced necroptosis in FADD-deficient Jurkat T cells ChEMBL. 17270434

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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