Detailed information for compound 1290158

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 187.198 | Formula: C10H9N3O
  • H donors: 2 H acceptors: 3 LogP: 0.71 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1c(O)nccc1c1ccncc1
  • InChi: 1S/C10H9N3O/c11-9-8(3-6-13-10(9)14)7-1-4-12-5-2-7/h1-6H,11H2,(H,13,14)
  • InChiKey: FZLYJYHXBGWNRT-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 microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0144 0.039 1
Loa Loa (eye worm) hypothetical protein 0.053 0.2811 0.2699
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.053 0.2811 0.5828
Schistosoma mansoni tar DNA-binding protein 0.0658 0.3611 0.5302
Loa Loa (eye worm) RNA binding protein 0.0658 0.3611 0.351
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.4714 0.6994
Echinococcus multilocularis GPCR, family 2 0.053 0.2811 0.5828
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0144 0.039 1
Toxoplasma gondii isocitrate dehydrogenase 0.0144 0.039 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.053 0.2811 0.5828
Schistosoma mansoni hypothetical protein 0.053 0.2811 0.4076
Toxoplasma gondii isocitrate dehydrogenase 0.0144 0.039 1
Brugia malayi isocitrate dehydrogenase 0.0144 0.039 0.039
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0144 0.039 1
Brugia malayi TAR-binding protein 0.0658 0.3611 0.3611
Loa Loa (eye worm) hypothetical protein 0.1146 0.6673 0.6621
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0144 0.039 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.1146 0.6673 0.6673
Schistosoma mansoni tar DNA-binding protein 0.0658 0.3611 0.5302
Brugia malayi hypothetical protein 0.0127 0.0283 0.0283
Loa Loa (eye worm) MH2 domain-containing protein 0.1568 0.9321 0.931
Brugia malayi Isocitrate dehydrogenase 0.0144 0.039 0.039
Echinococcus granulosus tar DNA binding protein 0.0658 0.3611 0.7581
Loa Loa (eye worm) latrophilin receptor protein 2 0.053 0.2811 0.2699
Echinococcus multilocularis isocitrate dehydrogenase 0.0144 0.039 0.0516
Echinococcus granulosus microtubule associated protein 2 0.0833 0.4714 1
Brugia malayi MH2 domain containing protein 0.0107 0.0154 0.0154
Schistosoma mansoni hypothetical protein 0.053 0.2811 0.4076
Brugia malayi RNA recognition motif domain containing protein 0.0658 0.3611 0.3611
Echinococcus granulosus GPCR family 2 0.053 0.2811 0.5828
Brugia malayi RNA binding protein 0.0658 0.3611 0.3611
Schistosoma mansoni hypothetical protein 0.053 0.2811 0.4076
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.053 0.2811 0.5828
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0144 0.039 1
Echinococcus multilocularis tar DNA binding protein 0.0658 0.3611 0.7581
Schistosoma mansoni hypothetical protein 0.1146 0.6673 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.053 0.2811 0.2811
Schistosoma mansoni hypothetical protein 0.053 0.2811 0.4076
Schistosoma mansoni tar DNA-binding protein 0.0658 0.3611 0.5302
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0144 0.039 0.0516
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0144 0.039 0.0516
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.053 0.2811 0.5828
Brugia malayi Smad1 0.0107 0.0154 0.0154
Brugia malayi MH1 domain containing protein 0.0107 0.0154 0.0154
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0144 0.039 0.0516
Brugia malayi MH2 domain containing protein 0.0107 0.0154 0.0154
Loa Loa (eye worm) TAR-binding protein 0.0658 0.3611 0.351
Brugia malayi Latrophilin receptor protein 2 0.053 0.2811 0.2811
Schistosoma mansoni tar DNA-binding protein 0.0658 0.3611 0.5302
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0144 0.039 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0658 0.3611 0.351
Loa Loa (eye worm) isocitrate dehydrogenase 0.0144 0.039 0.0239
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0144 0.039 0.0516
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0144 0.039 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.0283 0.0131
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.4714 1
Loa Loa (eye worm) transcription factor SMAD2 0.1568 0.9321 0.931
Schistosoma mansoni tar DNA-binding protein 0.0658 0.3611 0.5302
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0144 0.039 0.0361
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0144 0.039 0.0516
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0144 0.039 1
Brugia malayi MH2 domain containing protein 0.1568 0.9321 0.9321
Brugia malayi MH1 domain containing protein 0.0107 0.0154 0.0154

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: Confirmation Concentration-Response Assay for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 1460 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: Confirmation Concentration-Response Assay for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 1468 ] 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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