Detailed information for compound 1447675

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 186.21 | Formula: C11H10N2O
  • H donors: 2 H acceptors: 2 LogP: 1.78 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ncc(cc1N)c1ccccc1
  • InChi: 1S/C11H10N2O/c12-10-6-9(7-13-11(10)14)8-4-2-1-3-5-8/h1-7H,12H2,(H,13,14)
  • InChiKey: JSSSQWQWNRHJCZ-UHFFFAOYSA-N  

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 nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens caspase 1, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
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
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
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus caspase 8 caspase 1, apoptosis-related cysteine peptidase 383 aa 312 aa 26.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) tubulin alpha chain 0.0583 0.4421 0.4421
Echinococcus granulosus microtubule associated protein 2 0.0833 0.7387 0.7387
Echinococcus multilocularis Tubulin alpha 1 chain 0.0583 0.4421 0.4421
Trichomonas vaginalis tubulin beta chain, putative 0.0273 0.0751 0.0751
Mycobacterium tuberculosis Cell division protein FtsZ 0.0209 0 0.5
Leishmania major beta tubulin 0.1054 1 1
Entamoeba histolytica tubulin alpha chain, putative 0.0583 0.4421 0.1763
Leishmania major beta tubulin 0.1054 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0583 0.4421 0.4421
Leishmania major beta tubulin 0.1054 1 1
Echinococcus multilocularis tubulin alpha chain 0.0583 0.4421 0.4421
Echinococcus granulosus Tubulin beta 2C chain 0.1054 1 1
Trypanosoma brucei epsilon tubulin 0.0482 0.3227 0.3227
Trichomonas vaginalis tubulin epsilon chain, putative 0.1054 1 1
Schistosoma mansoni tubulin subunit beta 0.1054 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0273 0.0751 0.0751
Trichomonas vaginalis tubulin beta chain, putative 0.0583 0.4421 0.4421
Trypanosoma brucei epsilon tubulin 0.0482 0.3227 0.3227
Echinococcus granulosus beta tubulin 0.1054 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0273 0.0751 0.0751
Echinococcus multilocularis Tubulin beta 2C chain 0.1054 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0583 0.4421 0.4421
Trichomonas vaginalis tubulin beta chain, putative 0.1054 1 1
Echinococcus granulosus tubulin alpha chain 0.0583 0.4421 0.4421
Entamoeba histolytica tubulin alpha-1 chain 0.0583 0.4421 0.1763
Schistosoma mansoni tubulin subunit beta 0.1054 1 1
Trypanosoma brucei alpha tubulin 0.0583 0.4421 0.4421
Leishmania major alpha tubulin 0.0583 0.4421 0.4421
Trichomonas vaginalis tubulin, putative 0.1054 1 1
Echinococcus granulosus tubulin alpha chain 0.0583 0.4421 0.4421
Schistosoma mansoni tubulin subunit beta 0.1054 1 1
Plasmodium falciparum tubulin beta chain 0.1054 1 1
Leishmania major beta tubulin 0.1054 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0583 0.4421 0.4421
Leishmania major beta tubulin 0.1054 1 1
Schistosoma mansoni tubulin subunit beta 0.1054 1 1
Schistosoma mansoni tubulin subunit beta 0.1054 1 1
Leishmania major alpha tubulin 0.0583 0.4421 0.4421
Loa Loa (eye worm) tubulin beta chain 0.1054 1 1
Schistosoma mansoni tubulin subunit gamma 0.0482 0.3227 0.3227
Brugia malayi Tubulin beta chain 0.0273 0.0751 0.0751
Trypanosoma brucei alpha tubulin 0.0583 0.4421 0.4421
Leishmania major alpha tubulin 0.0583 0.4421 0.4421
Brugia malayi Tubulin gamma chain 0.0482 0.3227 0.3227
Trypanosoma cruzi beta tubulin, putative 0.1054 1 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0374 0.1945 0.1945
Leishmania major beta tubulin 0.1054 1 1
Leishmania major alpha tubulin 0.0583 0.4421 0.4421
Echinococcus granulosus tubulin alpha 1C chain 0.0583 0.4421 0.4421
Echinococcus multilocularis tubulin gamma 1 chain 0.0482 0.3227 0.3227
Loa Loa (eye worm) tubulin alpha 2 0.0374 0.1945 0.1945
Trypanosoma cruzi tubulin gamma chain 0.0482 0.3227 0.3227
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0374 0.1945 0.1945
Loa Loa (eye worm) hypothetical protein 0.0583 0.4421 0.4421
Echinococcus multilocularis hypothetical protein 0.0583 0.4421 0.4421
Brugia malayi beta-tubulin, identical 0.1054 1 1
Echinococcus multilocularis beta tubulin 0.1054 1 1
Echinococcus multilocularis tubulin alpha chain 0.0583 0.4421 0.4421
Echinococcus multilocularis tubulin alpha chain 0.0583 0.4421 0.4421
Trichomonas vaginalis tubulin gamma chain, putative 0.0482 0.3227 0.3227
Leishmania major alpha tubulin 0.0583 0.4421 0.4421
Schistosoma mansoni tubulin subunit beta 0.1054 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0583 0.4421 0.4421
Leishmania major beta tubulin 0.1054 1 1
Loa Loa (eye worm) alpha-tubulin 0.0583 0.4421 0.4421
Echinococcus granulosus tubulin subunit beta 0.1054 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0482 0.3227 0.3227
Schistosoma mansoni tubulin subunit alpha 0.0583 0.4421 0.4421
Echinococcus multilocularis tubulin subunit TubB 0.0583 0.4421 0.4421
Loa Loa (eye worm) BEN-1 protein 0.1054 1 1
Leishmania major beta tubulin 0.1054 1 1
Schistosoma mansoni tubulin subunit epsilon 0.0482 0.3227 0.3227
Trypanosoma brucei epsilon tubulin 0.0482 0.3227 0.3227
Plasmodium falciparum alpha tubulin 1 0.0583 0.4421 0.4421
Echinococcus granulosus tubulin alpha 1C chain 0.0583 0.4421 0.4421
Trichomonas vaginalis tubulin epsilon chain, putative 0.1054 1 1
Echinococcus granulosus alpha tubulin 0.0583 0.4421 0.4421
Loa Loa (eye worm) tubulin alpha 2 0.0374 0.1945 0.1945
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.7387 0.7387
Trypanosoma brucei alpha tubulin, putative 0.0273 0.0751 0.0751
Trichomonas vaginalis tubulin alpha chain, putative 0.1054 1 1
Echinococcus granulosus beta tubulin 0.1054 1 1
Loa Loa (eye worm) tubulin beta-2A chain 0.1054 1 1
Leishmania major alpha tubulin 0.0583 0.4421 0.4421
Echinococcus multilocularis tubulin alpha 1C chain 0.0583 0.4421 0.4421
Echinococcus granulosus Tubulin alpha 1 chain 0.0583 0.4421 0.4421
Trypanosoma cruzi epsilon tubulin, putative 0.0482 0.3227 0.3227
Echinococcus multilocularis Tubulin beta 2C chain 0.1054 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0583 0.4421 0.4421
Echinococcus multilocularis tubulin alpha 0.0482 0.3227 0.3227
Trichomonas vaginalis tubulin, putative 0.0273 0.0751 0.0751
Echinococcus granulosus Tubulin beta 2C chain 0.1054 1 1
Leishmania major beta tubulin 0.1054 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0583 0.4421 0.4421
Trypanosoma brucei alpha tubulin 0.0583 0.4421 0.4421
Echinococcus granulosus tubulin gamma 1 chain 0.0482 0.3227 0.3227
Trypanosoma brucei beta tubulin 0.1054 1 1
Plasmodium falciparum tubulin gamma chain 0.0482 0.3227 0.3227
Toxoplasma gondii alpha tubulin TUBA1 0.0583 0.4421 0.4421
Loa Loa (eye worm) hypothetical protein 0.0374 0.1945 0.1945
Echinococcus granulosus tubulin alpha 3 chain 0.0583 0.4421 0.4421
Echinococcus multilocularis tubulin alpha 3 chain 0.0583 0.4421 0.4421
Echinococcus granulosus Tubulin alpha 1 chain 0.0583 0.4421 0.4421
Loa Loa (eye worm) beta-tubulin 0.1054 1 1
Leishmania major alpha tubulin 0.0583 0.4421 0.4421
Plasmodium vivax tubulin epsilon chain, putative 0.0482 0.3227 0.3227
Leishmania major alpha tubulin 0.0583 0.4421 0.4421
Loa Loa (eye worm) tubulin beta-4 chain 0.1054 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0482 0.3227 0.3227
Leishmania major beta tubulin 0.1054 1 1
Brugia malayi Tubulin alpha-2 chain 0.0583 0.4421 0.4421
Leishmania major alpha tubulin 0.0583 0.4421 0.4421
Schistosoma mansoni alpha tubulin 0.0583 0.4421 0.4421
Leishmania major alpha tubulin 0.0583 0.4421 0.4421
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0209 0 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.7387 0.7387
Trypanosoma cruzi alpha tubulin, putative 0.0583 0.4421 0.4421
Echinococcus granulosus Tubulin alpha 1 chain 0.0583 0.4421 0.4421
Leishmania major beta tubulin 0.1054 1 1
Plasmodium vivax tubulin gamma chain, putative 0.0482 0.3227 0.3227
Brugia malayi Tubulin alpha chain 0.0583 0.4421 0.4421
Leishmania major gamma-tubulin 0.0482 0.3227 0.3227
Echinococcus multilocularis tubulin epsilon chain 0.0482 0.3227 0.3227
Brugia malayi tubulin alpha chain - mouse 0.0583 0.4421 0.4421
Echinococcus granulosus peroxisome assembly protein 26 0.0583 0.4421 0.4421
Giardia lamblia Beta tubulin 0.1054 1 1
Trypanosoma brucei beta tubulin 0.0482 0.3227 0.3227
Leishmania major epsilon tubulin, putative 0.0482 0.3227 0.3227
Trichomonas vaginalis tubulin alpha chain, putative 0.0482 0.3227 0.3227
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.031 0.1194 0.1194
Giardia lamblia Beta tubulin 0.1054 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0583 0.4421 0.4421
Mycobacterium leprae cell division protein FtsZ 0.0209 0 0.5
Entamoeba histolytica tubulin family protein 0.1054 1 1
Plasmodium vivax tubulin beta chain, putative 0.1054 1 1
Echinococcus multilocularis tubulin alpha chain 0.0583 0.4421 0.4421
Echinococcus granulosus tubulin subunit TubB 0.0583 0.4421 0.4421
Echinococcus multilocularis Tubulin beta 2C chain 0.1054 1 1
Echinococcus granulosus tubulin alpha 0.0482 0.3227 0.3227
Giardia lamblia Alpha-tubulin 0.0583 0.4421 0.4421
Trypanosoma brucei beta tubulin 0.1054 1 1
Trypanosoma brucei beta tubulin 0.1054 1 1
Loa Loa (eye worm) alpha-tubulin 0.0583 0.4421 0.4421
Trichomonas vaginalis tubulin beta chain, putative 0.0583 0.4421 0.4421
Trichomonas vaginalis tubulin epsilon chain, putative 0.0583 0.4421 0.4421
Trichomonas vaginalis tubulin, putative 0.0273 0.0751 0.0751
Leishmania major beta tubulin 0.1054 1 1
Treponema pallidum cell division protein FtsZ 0.0209 0 0.5
Echinococcus granulosus tubulin beta 4A class IVa 0.1054 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0583 0.4421 0.4421
Echinococcus multilocularis tubulin alpha chain 0.0583 0.4421 0.4421
Echinococcus multilocularis tubulin subunit beta 0.1054 1 1
Echinococcus granulosus tubulin alpha chain 0.0583 0.4421 0.4421
Leishmania major alpha tubulin 0.0583 0.4421 0.4421
Echinococcus granulosus tubulin beta 1 chain 0.1054 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0583 0.4421 0.4421
Echinococcus granulosus Tubulin beta 2C chain 0.1054 1 1
Leishmania major beta tubulin 0.1054 1 1
Trypanosoma brucei alpha tubulin 0.0583 0.4421 0.4421
Loa Loa (eye worm) tubulin beta-1 chain 0.1054 1 1
Toxoplasma gondii alpha-tubulin I, putative 0.0583 0.4421 0.4421
Echinococcus granulosus Tubulin beta 2C chain 0.1054 1 1
Mycobacterium ulcerans cell division protein FtsZ 0.0209 0 0.5
Brugia malayi Tubulin alpha-2 chain 0.0583 0.4421 0.4421
Toxoplasma gondii beta tubulin 0.1054 1 1
Schistosoma mansoni alpha tubulin 0.0583 0.4421 0.4421
Trichomonas vaginalis tubulin beta chain, putative 0.0583 0.4421 0.4421
Giardia lamblia Beta tubulin 0.1054 1 1
Schistosoma mansoni tubulin subunit alpha 0.0583 0.4421 0.4421
Loa Loa (eye worm) BEN-1 protein 0.1054 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0583 0.4421 0.4421
Echinococcus multilocularis Tubulin alpha 1 chain 0.0583 0.4421 0.4421
Echinococcus granulosus tubulin epsilon chain 0.0482 0.3227 0.3227
Trichomonas vaginalis tubulin gamma chain, putative 0.0482 0.3227 0.3227
Trypanosoma brucei tubulin gamma chain 0.0482 0.3227 0.3227
Trichomonas vaginalis tubulin gamma chain, putative 0.1054 1 1
Brugia malayi tubulin alpha-2 chain 0.0583 0.4421 0.4421
Entamoeba histolytica tubulin family protein 0.1054 1 1
Toxoplasma gondii beta-tubulin, putative 0.1054 1 1
Echinococcus granulosus tubulin alpha chain 0.0583 0.4421 0.4421
Leishmania major beta tubulin 0.1054 1 1
Schistosoma mansoni alpha tubulin 0.0583 0.4421 0.4421
Trypanosoma brucei beta tubulin 0.1054 1 1
Brugia malayi alpha-tubulin 0.0583 0.4421 0.4421
Toxoplasma gondii beta-1 tubulin, putative 0.1054 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0482 0.3227 0.3227
Loa Loa (eye worm) tubulin alpha-3 chain 0.031 0.1194 0.1194
Echinococcus multilocularis tubulin alpha 3 chain 0.0583 0.4421 0.4421
Echinococcus granulosus Tubulin beta 2C chain 0.1054 1 1
Giardia lamblia Alpha-tubulin 0.0583 0.4421 0.4421
Trichomonas vaginalis tubulin alpha chain, putative 0.0273 0.0751 0.0751
Echinococcus multilocularis tubulin, beta 4A class IVa 0.1054 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0583 0.4421 0.4421
Trichomonas vaginalis tubulin beta chain, putative 0.0583 0.4421 0.4421
Echinococcus multilocularis beta tubulin 0.1054 1 1
Leishmania major beta tubulin 0.1054 1 1
Plasmodium falciparum alpha tubulin 2 0.0583 0.4421 0.4421
Echinococcus multilocularis Tubulin beta 2C chain 0.1054 1 1
Leishmania major alpha tubulin 0.0583 0.4421 0.4421
Echinococcus granulosus tubulin alpha chain 0.0583 0.4421 0.4421
Onchocerca volvulus 0.0273 0.0751 0.5
Echinococcus multilocularis tubulin beta 1 chain 0.1054 1 1
Plasmodium falciparum tubulin epsilon chain, putative 0.0482 0.3227 0.3227
Schistosoma mansoni tubulin subunit alpha 0.0583 0.4421 0.4421
Echinococcus multilocularis Tubulin beta 2C chain 0.1054 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0273 0.0751 0.0751
Leishmania major beta tubulin 0.1054 1 1
Leishmania major beta tubulin 0.1054 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0583 0.4421 0.4421
Loa Loa (eye worm) hypothetical protein 0.031 0.1194 0.1194
Giardia lamblia Gamma tubulin 0.0482 0.3227 0.3227
Leishmania major beta tubulin 0.1054 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.0795 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
Potency (functional) 7.3078 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: Concentration-Response Counterscreen for Tau: Redox Active Inhibitors of Caspase-1. (Class of assay: confirmatory) [Related pubchem assays: 1460, 1468 ] ChEMBL. No reference
Potency (binding) = 8.9125 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) = 19.9526 um PUBCHEM_BIOASSAY: Confirmation Concentration-Response Assay for Inhibitors of Tau Fibril Formation, Total Fluorescence Counterscreen for Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 1463 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: Total Fluorescence Confirmation Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2, Fluorescein Fluoroprobe. (Class of assay: confirmatory) [Related pubchem assays: 1479 ] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: Concentration Response Confirmation Assay for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2, Fluorescein Fluoroprobe. (Class of assay: confirmatory) [Related pubchem assays: 1469 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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