Detailed information for compound 1519923

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 209.243 | Formula: C14H11NO
  • H donors: 0 H acceptors: 2 LogP: 2.62 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)C=Cc1cccnc1
  • InChi: 1S/C14H11NO/c16-14(13-6-2-1-3-7-13)9-8-12-5-4-10-15-11-12/h1-11H
  • InChiKey: MHYINARESROASH-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 SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521

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
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.1004 0.1004
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.1004 0.3047
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.1004 0.5
Trypanosoma brucei unspecified product 0.0023 0.1004 0.1904
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.3293 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1004 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.3293 0.3293
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.1004 0.5
Leishmania major DNA polymerase eta, putative 0.0054 0.3293 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.1004 0.3047
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Schistosoma mansoni DNA polymerase eta 0.0054 0.3293 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1004 0.5
Echinococcus multilocularis dna polymerase kappa 0.0023 0.1004 0.3047
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Leishmania major DNA polymerase eta, putative 0.0038 0.2097 0.4775
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.1004 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.2097 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Giardia lamblia DINP protein human, muc B family 0.0023 0.1004 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.1004 0.3047
Echinococcus multilocularis dna polymerase eta 0.0054 0.3293 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.3293 0.3293
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.1004 0.3047
Echinococcus granulosus dna polymerase kappa 0.0023 0.1004 0.3047
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1004 0.1904
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.2097 0.4775
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.1004 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1004 0.1904
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1004 0.1004
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1004 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.3293 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904
Echinococcus granulosus dna polymerase eta 0.0054 0.3293 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.1004 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1004 0.1904

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 19.9526 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) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) 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) 35.4813 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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