Detailed information for compound 1591159

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.409 | Formula: C24H16N4O2
  • H donors: 1 H acceptors: 5 LogP: 4.57 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc(c2ccccc2)c2c(n1)n(nc2c1cccnc1)c1ccccc1
  • InChi: 1S/C24H16N4O2/c29-24(30)20-14-19(16-8-3-1-4-9-16)21-22(17-10-7-13-25-15-17)27-28(23(21)26-20)18-11-5-2-6-12-18/h1-15H,(H,29,30)
  • InChiKey: MTAWZBRIERFNOJ-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni protein kinase 0.0102 0.0223 0.0165
Loa Loa (eye worm) hypothetical protein 0.0092 0.0077 0.0114
Loa Loa (eye worm) haspin protein kinase 0.0572 0.6713 1
Echinococcus multilocularis microtubule associated protein 2 0.081 1 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0568 0.6654 0.6634
Trichomonas vaginalis CMGC family protein kinase 0.0442 0.4923 1
Loa Loa (eye worm) hypothetical protein 0.0398 0.4308 0.6418
Brugia malayi Carboxylesterase family protein 0.0398 0.4308 0.6443
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0102 0.0223 0.0332
Echinococcus multilocularis dual specificity 0.0442 0.4923 0.4893
Brugia malayi Carboxylesterase family protein 0.0398 0.4308 0.6443
Echinococcus multilocularis acetylcholinesterase 0.0398 0.4308 0.4274
Trichomonas vaginalis CMGC family protein kinase 0.0442 0.4923 1
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0568 0.6654 0.6634
Echinococcus granulosus dual specificity 0.0442 0.4923 0.4893
Giardia lamblia Kinase, CMGC DYRK 0.0442 0.4923 1
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0442 0.4923 0.7376
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0102 0.0223 0.0165
Echinococcus granulosus carboxylesterase 5A 0.0398 0.4308 0.4274
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0102 0.0223 0.0332
Schistosoma mansoni hypothetical protein 0.0098 0.0164 0.0105
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0092 0.0077 0.5
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0102 0.0223 1
Leishmania major serine/threonine kinase-like protein, putative 0.0102 0.0223 0.0337
Trichomonas vaginalis CMGC family protein kinase 0.0442 0.4923 1
Echinococcus granulosus cyclin dependent kinase 9 0.0102 0.0223 0.0165
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0442 0.4923 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0092 0.0077 0.5
Echinococcus granulosus Pfam-B_8186 domain containing protein 0.0098 0.0164 0.0105
Schistosoma mansoni microtubule-associated protein tau 0.081 1 1
Echinococcus multilocularis dual specificity 0.0442 0.4923 0.4893
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0092 0.0077 0.0018
Entamoeba histolytica protein kinase domain containing protein 0.0442 0.4923 1
Loa Loa (eye worm) haspin protein kinase 0.0568 0.6654 0.9912
Brugia malayi Probable ClpP-like protease 0.0092 0.0077 0.0026
Loa Loa (eye worm) haspin protein kinase 0.0568 0.6654 0.9912
Schistosoma mansoni serine/threonine kinase 0.0102 0.0223 0.0165
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0102 0.0223 0.0165
Echinococcus multilocularis carboxylesterase 5A 0.0398 0.4308 0.4274
Entamoeba histolytica protein kinase domain containing protein 0.0102 0.0223 0.0337
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0092 0.0077 0.5
Brugia malayi GSG2 0.0568 0.6654 1
Echinococcus granulosus dual specificity 0.0442 0.4923 0.4893
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0398 0.4308 0.4274
Entamoeba histolytica protein kinase, putative 0.0442 0.4923 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0092 0.0077 0.5
Brugia malayi Cell division protein kinase 2 0.0102 0.0223 0.0249
Brugia malayi cyclin-dependent kinase 7 homolog 0.0102 0.0223 0.0249
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0442 0.4923 1
Schistosoma mansoni hypothetical protein 0.0568 0.6654 0.6634
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.0102 0.0223 0.0337
Echinococcus multilocularis cyclin dependent kinase 9 0.0102 0.0223 0.0165
Echinococcus granulosus serine:threonine protein kinase haspin 0.0568 0.6654 0.6634
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0442 0.4923 1
Echinococcus multilocularis dual specificity 0.0442 0.4923 0.4893
Echinococcus multilocularis hypothetical protein 0.0098 0.0164 0.0105
Echinococcus granulosus serine:threonine protein kinase haspin 0.0568 0.6654 0.6634
Echinococcus granulosus acetylcholinesterase 0.0398 0.4308 0.4274
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0102 0.0223 0.0337
Plasmodium falciparum MO15-related protein kinase 0.0102 0.0223 1
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.0223 0.0165
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0442 0.4923 0.7334
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0568 0.6654 0.6634
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0102 0.0223 0.0337
Schistosoma mansoni peptidase Clp (S14 family) 0.0092 0.0077 0.0018
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0092 0.0077 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0092 0.0077 0.5
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0102 0.0223 0.0337
Loa Loa (eye worm) acetylcholinesterase 1 0.0398 0.4308 0.6418
Echinococcus granulosus mitogen activated protein kinase 15 0.0102 0.0223 0.0165
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0102 0.0223 1
Entamoeba histolytica hypothetical protein 0.0098 0.0164 0.0216
Brugia malayi hypothetical protein 0.0568 0.6654 1
Echinococcus multilocularis acetylcholinesterase 0.0398 0.4308 0.4274
Entamoeba histolytica cell division protein kinase 2, putative 0.0102 0.0223 0.0337
Loa Loa (eye worm) hypothetical protein 0.0398 0.4308 0.6418
Echinococcus granulosus acetylcholinesterase 0.0398 0.4308 0.4274
Trichomonas vaginalis CMGC family protein kinase 0.0442 0.4923 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0092 0.0077 0.0018
Echinococcus granulosus serine:threonine protein kinase NLK 0.0102 0.0223 0.0165
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0102 0.0223 0.0337
Loa Loa (eye worm) carboxylesterase 0.0398 0.4308 0.6418
Echinococcus granulosus dual specificity 0.0442 0.4923 0.4893
Brugia malayi Protein kinase domain containing protein 0.0102 0.0223 0.0249
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0092 0.0077 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0442 0.4923 0.4893
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0102 0.0223 0.0165
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.009 0.0059 0.0088
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0442 0.4923 1
Trichomonas vaginalis CMGC family protein kinase 0.0442 0.4923 1
Trichomonas vaginalis CMGC family protein kinase 0.0442 0.4923 1
Trypanosoma brucei protein kinase, putative 0.0102 0.0223 0.0337

Activities

Activity type Activity value Assay description Source Reference
DIZ (functional) Antibacterial activity against Escherichia coli at 10 mg/ml after 24 hrs by cut-plug method ChEMBL. 22178093

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.

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