Detailed information for compound 1725860

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 322.404 | Formula: C19H22N4O
  • H donors: 3 H acceptors: 3 LogP: 3.24 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1CC[C@H](CC1)Nc1nc(C)cc(c1)c1c[nH]c2c1cccn2
  • InChi: 1S/C19H22N4O/c1-12-9-13(17-11-21-19-16(17)3-2-8-20-19)10-18(22-12)23-14-4-6-15(24)7-5-14/h2-3,8-11,14-15,24H,4-7H2,1H3,(H,20,21)(H,22,23)/t14-,15-
  • InChiKey: LREADVAQGARKQU-SHTZXODSSA-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 cell division cycle 7 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K02214 cell division control protein CDC7, putative 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
Trichomonas vaginalis CMGC family protein 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
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 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
Echinococcus multilocularis 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
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
Loa Loa (eye worm) CDC7 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
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
Echinococcus multilocularis expressed conserved protein 0.003 0.0026 0.0029
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0224 0.9043 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.021 0.8357 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0224 0.9043 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0044 0.0686 0.0758
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0044 0.0686 0.082
Leishmania major protein kinase, putative 0.003 0.0026 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0065 0.1643 0.1816
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0044 0.0686 0.0758
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0044 0.0686 0.0686
Loa Loa (eye worm) CDC7 protein kinase 0.0069 0.1817 0.2009
Giardia lamblia Kinase, CDC7 0.0069 0.1817 1
Echinococcus granulosus cGMP dependent protein kinase 1 0.003 0.0026 0.0029
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0044 0.0686 0.0758
Trichomonas vaginalis CMGC family protein kinase 0.0069 0.1817 0.2174
Brugia malayi Cyclic-nucleotide gated cation channel 0.0044 0.0686 0.0758
Schistosoma mansoni voltage-gated potassium channel 0.0065 0.1643 0.1643
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0044 0.0686 0.0758
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.1817 0.1817
Loa Loa (eye worm) hypothetical protein 0.0065 0.1643 0.1816
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0026 0.0026
Echinococcus multilocularis cGMP dependent protein kinase 1 0.003 0.0026 0.0029
Echinococcus multilocularis voltage gated potassium channel 0.0065 0.1643 0.1816
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0065 0.1643 0.1816
Echinococcus granulosus cGMP dependent protein kinase 1 0.003 0.0026 0.0029
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0044 0.0686 0.0758
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0224 0.9043 1
Echinococcus granulosus cGMP dependent protein kinase 0.003 0.0026 0.0029
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0044 0.0686 0.0758
Loa Loa (eye worm) hypothetical protein 0.0195 0.7667 0.8478
Echinococcus granulosus hyperpolarization activated cyclic 0.0044 0.0686 0.0758
Schistosoma mansoni voltage-gated potassium channel 0.0035 0.0267 0.0267
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0065 0.1643 0.1816
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0044 0.0686 0.0758
Schistosoma mansoni voltage-gated potassium channel 0.0065 0.1643 0.1643
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0044 0.0686 0.0686
Echinococcus multilocularis CDC7 cell division cycle 7 0.0069 0.1817 0.2009
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0224 0.9043 1
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.003 0.0026 1
Echinococcus granulosus CDC7 cell division cycle 7 0.0069 0.1817 0.2009
Echinococcus granulosus hyperpolarization activated cyclic 0.0044 0.0686 0.0758
Onchocerca volvulus 0.0069 0.1817 1
Brugia malayi Protein kinase domain containing protein 0.0069 0.1817 0.2009
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0044 0.0686 0.0686
Trichomonas vaginalis CMGC family protein kinase 0.0069 0.1817 0.2174
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0044 0.0686 0.0758
Echinococcus multilocularis hyperpolarization activated cyclic 0.0044 0.0686 0.0758
Loa Loa (eye worm) AGC/PKG protein kinase 0.003 0.0026 0.0029
Plasmodium falciparum cGMP-dependent protein kinase 0.003 0.0026 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0044 0.0686 0.0686
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0026 0.0026
Trichomonas vaginalis CMGC family protein kinase 0.0069 0.1817 0.2174
Echinococcus granulosus voltage gated potassium channel 0.0065 0.1643 0.1816
Brugia malayi Egg laying defective protein 4 0.003 0.0026 0.0029
Leishmania major protein kinase, putative 0.003 0.0026 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0044 0.0686 0.0686
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.021 0.8357 1
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.0686 0.0686
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0044 0.0686 0.0758
Echinococcus multilocularis cGMP dependent protein kinase 1 0.003 0.0026 0.0029
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0044 0.0686 0.082
Onchocerca volvulus 0.0069 0.1817 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0686 0.0758
Schistosoma mansoni 60S ribosomal protein L21 0.0035 0.0267 0.0267
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0026 0.0026
Echinococcus multilocularis hyperpolarization activated cyclic 0.0044 0.0686 0.0758

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 27 nM Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr ChEMBL. 24900653

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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