Detailed information for compound 1607724

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 308.381 | Formula: C17H20N6
  • H donors: 3 H acceptors: 3 LogP: 3.84 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCC(CC1)Nc1ccnc(n1)Nc1ccc2c(c1)[nH]nc2
  • InChi: 1S/C17H20N6/c1-2-4-13(5-3-1)20-16-8-9-18-17(22-16)21-14-7-6-12-11-19-23-15(12)10-14/h6-11,13H,1-5H2,(H,19,23)(H2,18,20,21,22)
  • InChiKey: REGDEOBNDJFQGX-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 No references
Homo sapiens WEE1 G2 checkpoint kinase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Candida albicans protein serine/threonine kinase Get druggable targets OG5_129189 All targets in OG5_129189
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Trypanosoma congolense Wee1-like protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania mexicana protein kinase, putative,serine/threonine protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania donovani protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Trypanosoma cruzi Wee1-like protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Loa Loa (eye worm) CDC7 protein kinase 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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Leishmania donovani Wee1-like protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Trypanosoma cruzi Wee1-like protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129189 All targets in OG5_129189
Leishmania braziliensis protein kinase, putative,serine/threonine protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Echinococcus multilocularis CDC7 cell division cycle 7 Get druggable targets OG5_129189 All targets in OG5_129189
Giardia lamblia Kinase, CDC7 Get druggable targets OG5_129189 All targets in OG5_129189
Onchocerca volvulus Get druggable targets OG5_129189 All targets in OG5_129189
Onchocerca volvulus Get druggable targets OG5_129189 All targets in OG5_129189
Echinococcus granulosus CDC7 cell division cycle 7 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Trypanosoma brucei wee1-like protein kinase Get druggable targets OG5_129875 All targets in OG5_129875
Trypanosoma cruzi Wee1-like protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Leishmania infantum protein kinase, putative,serine/threonine protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875

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
Onchocerca volvulus 0.0069 0 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0644 1 1
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0078 0.0155 0.0155
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0644 1 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0078 0.0155 0.0155
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0078 0.0155 1
Schistosoma mansoni isocitrate dehydrogenase 0.0078 0.0155 0.0155
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0644 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0644 1 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0644 1 1
Giardia lamblia Kinase, CDC7 0.0069 0 0.5
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0078 0.0155 0.0155
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0078 0.0155 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.0155 0.0155
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0644 1 1
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0078 0.0155 0.0155
Entamoeba histolytica tartrate dehydrogenase, putative 0.0078 0.0155 0.5
Brugia malayi Isocitrate dehydrogenase 0.0644 1 1
Brugia malayi Probable isocitrate dehydrogenase 0.0078 0.0155 0.0155
Onchocerca volvulus 0.0069 0 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0644 1 0.5
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0078 0.0155 0.0155
Schistosoma mansoni unc-13 (munc13) 0.0078 0.0155 0.0155
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0078 0.0155 0.0155
Leishmania major isocitrate dehydrogenase, putative 0.0078 0.0155 0.0155
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0644 1 1
Brugia malayi Probable isocitrate dehydrogenase 0.0078 0.0155 0.0155
Toxoplasma gondii isocitrate dehydrogenase 0.0644 1 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0644 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0644 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0644 1 0.5
Loa Loa (eye worm) isocitrate dehydrogenase 0.0644 1 1
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0078 0.0155 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0644 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0644 1 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0078 0.0155 0.0155
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0644 1 1
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0078 0.0155 0.0155
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0078 0.0155 0.0155
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0644 1 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0644 1 1
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0078 0.0155 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (functional) = 5.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC7 ChEMBL. No reference
Ki (functional) = 6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: WEE1 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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