Detailed information for compound 1527341

Basic information

Technical information
  • TDR Targets ID: 1527341
  • Name: BAS 00676506
  • MW: 290.316 | Formula: C18H14N2O2
  • H donors: 1 H acceptors: 2 LogP: 2.4 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNc1c2c3ccccc3c(=O)c3c2c(n(c1=O)C)ccc3
  • InChi: 1S/C18H14N2O2/c1-19-16-15-10-6-3-4-7-11(10)17(21)12-8-5-9-13(14(12)15)20(2)18(16)22/h3-9,19H,1-2H3
  • InChiKey: DTIGPJBXPGIKMS-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • Oprea1_183080
  • IFLab1_005693
  • ZINC00296355
  • Oprea1_643086
  • IDI1_011096
  • AQ-390/10884058
  • STOCK1N-26274
  • 3-Methyl-1-methylamino-3H-naphtho[1,2,3-de]quinoline-2,7-dione

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase kinase kinase 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma mansoni protein kinase Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma japonicum IPR010993,Sterile alpha motif homology,domain-containing Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma japonicum expressed protein Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma japonicum ko:K04426 mitogen-activated protein kinase kinase kinase 5, putative Get druggable targets OG5_130258 All targets in OG5_130258
Echinococcus granulosus mitogen activated protein kinase kinase kinase Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma japonicum Mitogen-activated protein kinase kinase kinase 15, putative Get druggable targets OG5_130258 All targets in OG5_130258
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130258 All targets in OG5_130258
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130258 All targets in OG5_130258
Echinococcus multilocularis mitogen activated protein kinase kinase kinase Get druggable targets OG5_130258 All targets in OG5_130258
Brugia malayi Neuronal symmetry protein 1 Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma japonicum IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma japonicum IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma mansoni protein kinase Get druggable targets OG5_130258 All targets in OG5_130258
Loa Loa (eye worm) STE/STE11/ASK protein kinase Get druggable targets OG5_130258 All targets in OG5_130258
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma japonicum Mitogen-activated protein kinase kinase kinase 15, putative Get druggable targets OG5_130258 All targets in OG5_130258

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
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0183 0.3088 0.2479
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0111 0.1788 0.1064
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0183 0.3088 0.2479
Brugia malayi Neuronal symmetry protein 1 0.0249 0.4284 0.5976
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0183 0.3088 0.4029
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0127 0.2072 0.5
Trichomonas vaginalis cdc25c, putative 0.0111 0.1788 0.1064
Schistosoma mansoni protein kinase 0.0249 0.4284 0.7182
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0111 0.1788 0.1064
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0183 0.3088 0.3112
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0075 0.1153 1
Trichomonas vaginalis cdc25b, putative 0.0111 0.1788 0.1064
Loa Loa (eye worm) hypothetical protein 0.0111 0.1788 0.1331
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0249 0.4284 0.5976
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0056 0.081 0.5
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0183 0.3088 0.2479
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0343 0.5964 1
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0111 0.1788 0.1064
Schistosoma mansoni protein kinase 0.0249 0.4284 0.7182
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0183 0.3088 0.1583
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0111 0.1788 0.1064
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0183 0.3088 0.2479
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0111 0.1788 0.2997
Trichomonas vaginalis pps1 dual specificty phosphatase, putative 0.0567 1 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.1632 0.1008
Loa Loa (eye worm) hypothetical protein 0.0102 0.1632 0.1008
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0343 0.5964 1
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0111 0.1788 0.1064
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0183 0.3088 0.5
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.0075 0.1153 0.0014
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0183 0.3088 0.5
Loa Loa (eye worm) hypothetical protein 0.0111 0.1788 0.1331
Leishmania major hypothetical protein, conserved 0.0056 0.081 0.5
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0183 0.3088 0.1583
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0249 0.4284 0.5976
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0343 0.5964 1
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0343 0.5964 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0343 0.5964 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0183 0.3088 0.2479
Loa Loa (eye worm) hypothetical protein 0.0249 0.4277 0.6498
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0183 0.3088 0.2479
Onchocerca volvulus 0.0183 0.3088 1
Trichomonas vaginalis cdc25b, putative 0.0111 0.1788 0.1064
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0075 0.1153 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.7 uM Competitive inhibition of human ASK1 ChEMBL. 21449566

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.