Detailed information for compound 1547530

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 268.267 | Formula: C15H12N2O3
  • H donors: 1 H acceptors: 3 LogP: 3.32 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: ON=C(c1ccc2c(c1)Cc1c2ccc(c1)[N+](=O)[O-])C
  • InChi: 1S/C15H12N2O3/c1-9(16-18)10-2-4-14-11(6-10)7-12-8-13(17(19)20)3-5-15(12)14/h2-6,8,18H,7H2,1H3
  • InChiKey: HLGPTVACOOFNMW-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 glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii ImpB/MucB/SamB family protein 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
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense 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
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) RNA 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
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense 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
Schistosoma mansoni tar DNA-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
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Pc21g17280 protein, related 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
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
Brugia malayi TAR-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
Leishmania braziliensis DNA polymerase eta, 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis 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
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.6288 0.6096
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.7303 0.7163
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.1197 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1197 0.1904
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.6288 1
Schistosoma mansoni DNA polymerase eta 0.0054 0.6288 0.6096
Echinococcus multilocularis dna polymerase eta 0.0054 0.6288 0.6096
Echinococcus multilocularis dna polymerase kappa 0.0023 0.1197 0.0741
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1197 0.1904
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6482 0.63
Trypanosoma brucei unspecified product 0.0023 0.1197 0.1904
Brugia malayi TAR-binding protein 0.0076 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.6482 0.63
Echinococcus granulosus dna polymerase eta 0.0054 0.6288 0.6096
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.3628 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1197 0.1904
Loa Loa (eye worm) hypothetical protein 0.006 0.7303 0.7163
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.7303 0.7163
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.1197 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.6288 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.1197 0.0741
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.3628 0.4775
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.7303 0.7163
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1197 0.1904
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1197 0.0741
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1197 0.1904
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1197 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.6482 0.63
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.1197 0.0741
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.6482 0.63
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1197 0.1904
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.6482 0.63
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6482 0.63
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.4151 0.3848
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.1197 0.0741
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1197 0.1904
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1197 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.1197 0.0741
Loa Loa (eye worm) hypothetical protein 0.0054 0.6288 0.6096
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.1197 0.0741
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.1197 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.1197 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.1197 0.0741
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.6482 0.63
Schistosoma mansoni hypothetical protein 0.0041 0.4151 0.3848
Leishmania major DNA polymerase eta, putative 0.0038 0.3628 0.4775
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1197 0.1904
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1197 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1197 0.1904
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.1197 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.4151 0.3848
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.1197 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1197 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1197 0.1904
Leishmania major DNA polymerase eta, putative 0.0054 0.6288 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1197 0.1904
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.6482 0.63
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6482 0.63

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 25.1189 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 42.5615 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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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