Detailed information for compound 1372337

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 251.283 | Formula: C15H13N3O
  • H donors: 1 H acceptors: 3 LogP: 3.37 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nn(c(n1)c1ccccc1O)c1ccccc1
  • InChi: 1S/C15H13N3O/c1-11-16-15(13-9-5-6-10-14(13)19)18(17-11)12-7-3-2-4-8-12/h2-10,19H,1H3
  • InChiKey: NKTIQWDZSVQQBM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0005 0.0096
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0005 0.0007
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0257 0.0529 0.1866
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0005 0.0096
Brugia malayi steroid hormone receptor 0.0012 0.0005 0.0007
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0005 0.0096
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0005 0.0007
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0005 0.0096
Mycobacterium ulcerans monoamine oxidase 0.0257 0.0529 0.0646
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0005 0.0096
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0005 0.0096
Plasmodium falciparum telomerase reverse transcriptase 0.128 0.2716 1
Brugia malayi ecdysteroid receptor 0.0012 0.0005 0.0007
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0257 0.0529 0.1866
Mycobacterium tuberculosis Conserved hypothetical protein 0.0257 0.0529 0.0695
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0257 0.0529 0.0646
Plasmodium vivax telomerase reverse transcriptase, putative 0.128 0.2716 1
Mycobacterium ulcerans oxidoreductase 0.0257 0.0529 0.0646
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0028 0.0521
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0005 0.0007
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0005 0.0096
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0005 0.0007
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0005 0.0007
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0005 0.0096
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0096
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0005 0.0096
Echinococcus granulosus lysine specific histone demethylase 1A 0.0257 0.0529 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0005 0.0096
Trypanosoma brucei telomerase reverse transcriptase 0.128 0.2716 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0005 0.0096
Echinococcus multilocularis 0.0257 0.0529 1
Leishmania major UDP-galactopyranose mutase 0.0257 0.0529 0.1866
Schistosoma mansoni ap endonuclease 0.0023 0.0028 0.0521
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0005 0.0096
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0257 0.0529 1
Loa Loa (eye worm) hypothetical protein 0.0257 0.0529 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0005 0.0096
Giardia lamblia Telomerase catalytic subunit 0.128 0.2716 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.3396 0.7242 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0028 0.0521
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0005 0.0096
Leishmania major telomerase reverse transcriptase, putative 0.128 0.2716 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0005 0.0007
Toxoplasma gondii histone lysine-specific demethylase 0.0257 0.0529 0.1866
Trypanosoma cruzi UDP-galactopyranose mutase 0.0257 0.0529 0.1866
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0028 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0028 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.128 0.2716 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0257 0.0529 1
Brugia malayi nuclear hormone receptor 0.0012 0.0005 0.0007
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0028 0.0521
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0005 0.0096
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0096
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.128 0.2716 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0005 0.0096
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0028 0.0038
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0096
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0005 0.0096
Plasmodium falciparum protoporphyrinogen oxidase 0.0257 0.0529 0.1866
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0257 0.0529 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0005 0.0007
Loa Loa (eye worm) hypothetical protein 0.0257 0.0529 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0005 0.0007
Mycobacterium ulcerans dehydrogenase 0.0257 0.0529 0.0646
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0005 0.0096
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0005 0.0096
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0096
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0028 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0005 0.0007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0005 0.0096
Echinococcus multilocularis protoporphyrinogen oxidase 0.0257 0.0529 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.0005 0.0007
Brugia malayi MH2 domain containing protein 0.0144 0.0287 0.0396
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0257 0.0529 0.1866
Trypanosoma cruzi UDP-galactopyranose mutase 0.0257 0.0529 0.1866
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0005 0.0096
Chlamydia trachomatis protoporphyrinogen oxidase 0.0257 0.0529 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0005 0.0007
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0096
Plasmodium vivax hypothetical protein, conserved 0.0257 0.0529 0.1866
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0005 0.0096
Loa Loa (eye worm) hypothetical protein 0.0257 0.0529 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0005 0.0096
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0096
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0005 0.0096
Onchocerca volvulus 0.0257 0.0529 0.0524
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0005 0.0096
Loa Loa (eye worm) hypothetical protein 0.0257 0.0529 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0287 0.543
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0005 0.0007
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0096
Plasmodium vivax hypothetical protein, conserved 0.0257 0.0529 0.1866
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0005 0.0096
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0028 0.5
Schistosoma mansoni coup transcription factor 0.0012 0.0005 0.0096
Mycobacterium tuberculosis Possible oxidoreductase 0.0257 0.0529 0.0695
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0005 0.0096
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0005 0.0096
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0287 0.543
Loa Loa (eye worm) hypothetical protein 0.0257 0.0529 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0005 0.0007
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0005 0.0096
Brugia malayi Telomerase reverse transcriptase 0.3406 0.7263 1
Toxoplasma gondii RNA-directed DNA polymerase 0.128 0.2716 1
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0005 0.0096
Echinococcus granulosus lysine specific histone demethylase 1A 0.0257 0.0529 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0257 0.0529 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0005 0.0096
Brugia malayi SWIRM domain containing protein 0.0257 0.0529 0.0729
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0005 0.0096
Brugia malayi hypothetical protein 0.0257 0.0529 0.0729
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0005 0.0096
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0257 0.0529 0.1866
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0096
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0005 0.0007
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0005 0.0096
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.3653 0.7792 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.3653 0.7792 1
Schistosoma mansoni amine oxidase 0.0257 0.0529 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0005 0.0096
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0028 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0005 0.0007
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0005 0.0096
Schistosoma mansoni amine oxidase 0.0257 0.0529 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0257 0.0529 0.1866
Loa Loa (eye worm) hypothetical protein 0.0257 0.0529 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0005 0.0007
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0005 0.0096
Schistosoma mansoni ap endonuclease 0.0023 0.0028 0.0521
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0005 0.0007
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0005 0.0096
Brugia malayi amine oxidase, flavin-containing family protein 0.0257 0.0529 0.0729

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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