Detailed information for compound 1251812

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 201.225 | Formula: C11H11N3O
  • H donors: 2 H acceptors: 2 LogP: 0.58 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1cc([nH]c1C)c1ccncc1
  • InChi: 1S/C11H11N3O/c1-7-9(11(12)15)6-10(14-7)8-2-4-13-5-3-8/h2-6,14H,1H3,(H2,12,15)
  • InChiKey: CHWPWHYRDCOVRG-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 cell division cycle 7 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus CDC7 cell division cycle 7 Get druggable targets OG5_129189 All targets in OG5_129189
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Onchocerca volvulus Get druggable targets OG5_129189 All targets in OG5_129189
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Candida albicans protein serine/threonine kinase Get druggable targets OG5_129189 All targets in OG5_129189
Onchocerca volvulus Get druggable targets OG5_129189 All targets in OG5_129189
Echinococcus multilocularis CDC7 cell division cycle 7 Get druggable targets OG5_129189 All targets in OG5_129189
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129189 All targets in OG5_129189
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Giardia lamblia Kinase, CDC7 Get druggable targets OG5_129189 All targets in OG5_129189
Schistosoma japonicum ko:K02214 cell division control protein CDC7, putative Get druggable targets OG5_129189 All targets in OG5_129189
Loa Loa (eye worm) CDC7 protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Candida albicans protein serine/threonine kinase Get druggable targets OG5_129189 All targets in OG5_129189

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 glycogen phosphorylase 0.0099 0.2107 0.3267
Chlamydia trachomatis DNA gyrase subunit B 0.0247 0.7037 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0058 0.0724 0.0475
Echinococcus granulosus geminin 0.0164 0.4267 0.4267
Schistosoma mansoni hypothetical protein 0.0164 0.4267 0.6616
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0058 0.0724 0.1123
Trichomonas vaginalis glycogen phosphorylase, putative 0.023 0.6449 1
Trichomonas vaginalis CMGC family protein kinase 0.0069 0.1092 0.0642
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.1092 0.1692
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0058 0.0724 0.0724
Giardia lamblia Glycogen phosphorylase 0.023 0.6449 1
Onchocerca volvulus 0.0069 0.1092 0.1086
Loa Loa (eye worm) CDC7 protein kinase 0.0069 0.1092 0.1514
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0439 0.068
Loa Loa (eye worm) glycogen phosphorylase 0.023 0.6449 1
Echinococcus multilocularis glycogen phosphorylase 0.023 0.6449 0.6449
Onchocerca volvulus 0.0069 0.1092 0.1086
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.6222 0.8346
Entamoeba histolytica glycogen phosphorylase, putative 0.0099 0.2107 0.3267
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0058 0.0724 0.1123
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0247 0.7037 0.5
Mycobacterium ulcerans DNA gyrase subunit B 0.0247 0.7037 1
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0247 0.7037 0.5
Plasmodium vivax DNA gyrase subunit B, putative 0.0247 0.7037 1
Schistosoma mansoni glycogen phosphorylase 0.023 0.6449 1
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0247 0.7037 1
Plasmodium falciparum DNA gyrase subunit B 0.0247 0.7037 1
Schistosoma mansoni DNA topoisomerase II 0.0058 0.0724 0.1123
Echinococcus multilocularis tumor protein p63 0.0336 1 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0058 0.0724 0.1123
Brugia malayi carbohydrate phosphorylase 0.023 0.6449 1
Leishmania major mitochondrial DNA topoisomerase II 0.0143 0.356 1
Chlamydia trachomatis glycogen phosphorylase 0.023 0.6449 0.7928
Loa Loa (eye worm) hypothetical protein 0.0049 0.0439 0.048
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0058 0.0724 0.0475
Trichomonas vaginalis CMGC family protein kinase 0.0069 0.1092 0.0642
Schistosoma mansoni hypothetical protein 0.008 0.1476 0.2289
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0058 0.0724 0.0475
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0143 0.356 1
Echinococcus granulosus glycogen phosphorylase 0.023 0.6449 0.6449
Brugia malayi Probable DNA topoisomerase II 0.0058 0.0724 0.1123
Trypanosoma brucei DNA topoisomerase ii 0.0143 0.356 1
Entamoeba histolytica glycogenphosphorylase, putative 0.0099 0.2107 0.3267
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0143 0.356 1
Entamoeba histolytica glycogen phosphorylase, putative 0.023 0.6449 1
Schistosoma mansoni glycogen phosphorylase 0.023 0.6449 1
Echinococcus multilocularis glycogen phosphorylase 0.023 0.6449 0.6449
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0058 0.0724 0.0724
Trypanosoma brucei RNA helicase, putative 0.008 0.1476 0.3915
Echinococcus granulosus CDC7 cell division cycle 7 0.0069 0.1092 0.1092
Trichomonas vaginalis glycogen phosphorylase, putative 0.023 0.6449 1
Giardia lamblia Kinase, CDC7 0.0069 0.1092 0.1046
Echinococcus granulosus glycogen phosphorylase 0.023 0.6449 0.6449
Onchocerca volvulus Glycogen phosphorylase homolog 0.023 0.6449 1
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0085 0.1635 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0069 0.1092 0.0642
Entamoeba histolytica glycogen phosphorylase, putative 0.0099 0.2107 0.3267
Echinococcus multilocularis Glycosyl transferase, family 35 0.023 0.6449 0.6449
Echinococcus multilocularis CDC7 cell division cycle 7 0.0069 0.1092 0.1092
Loa Loa (eye worm) TOPoisomerase family member 0.0058 0.0724 0.0933
Echinococcus granulosus Glycosyl transferase family 35 0.023 0.6449 0.6449
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0143 0.356 1
Entamoeba histolytica glycogen phosphorylase, putative 0.023 0.6449 1
Schistosoma mansoni hypothetical protein 0.0164 0.4267 0.6616
Brugia malayi Protein kinase domain containing protein 0.0069 0.1092 0.1692
Echinococcus multilocularis geminin 0.0164 0.4267 0.4267

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.516 uM Inhibition of Cdc7 ChEMBL. 20873740

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.

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