Detailed information for compound 1542285

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 280.348 | Formula: C15H12N4S
  • H donors: 2 H acceptors: 1 LogP: 2.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)NC(=S)NC(=N)c1ccccc1
  • InChi: 1S/C15H12N4S/c16-10-11-6-8-13(9-7-11)18-15(20)19-14(17)12-4-2-1-3-5-12/h1-9H,(H3,17,18,19,20)
  • InChiKey: FZYXIYNRTXBRKH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0 0.5
Brugia malayi Latrophilin receptor protein 2 0.0054 0.1232 0.1232
Loa Loa (eye worm) hypothetical protein 0.0171 0.4963 0.4963
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0054 0.1232 0.1232
Schistosoma mansoni tar DNA-binding protein 0.0328 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0328 1 1
Brugia malayi TAR-binding protein 0.0328 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0054 0.1232 0.1232
Schistosoma mansoni hypothetical protein 0.0054 0.1232 0.1232
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0117 0.3236 0.3236
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0171 0.4963 0.4963
Schistosoma mansoni tar DNA-binding protein 0.0328 1 1
Schistosoma mansoni hypothetical protein 0.0054 0.1232 0.1232
Echinococcus multilocularis GPCR, family 2 0.0054 0.1232 0.1232
Schistosoma mansoni hypothetical protein 0.0117 0.3236 0.3236
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0054 0.1232 0.1232
Schistosoma mansoni hypothetical protein 0.0054 0.1232 0.1232
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0054 0.1232 0.1232
Schistosoma mansoni tar DNA-binding protein 0.0328 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0054 0.1232 0.1232
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0328 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0171 0.4963 0.4963
Schistosoma mansoni tar DNA-binding protein 0.0328 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0117 0.3236 0.3236
Echinococcus multilocularis tar DNA binding protein 0.0328 1 1
Echinococcus granulosus tar DNA binding protein 0.0328 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1232 0.1232
Loa Loa (eye worm) TAR-binding protein 0.0328 1 1
Echinococcus granulosus GPCR family 2 0.0054 0.1232 0.1232
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0054 0.1232 0.1232
Schistosoma mansoni hypothetical protein 0.0054 0.1232 0.1232
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0328 1 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0328 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0171 0.4963 0.4963
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) 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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