Detailed information for compound 1959623

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 452.508 | Formula: C26H24N6O2
  • H donors: 3 H acceptors: 4 LogP: 4.82 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)COc1ccccc1c1nc(Nc2ccc3c(c2)cn[nH]3)c2c(n1)cccc2)C
  • InChi: 1S/C26H24N6O2/c1-16(2)28-24(33)15-34-23-10-6-4-8-20(23)26-30-22-9-5-3-7-19(22)25(31-26)29-18-11-12-21-17(13-18)14-27-32-21/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)
  • InChiKey: DEERZJKACOQSGM-UHFFFAOYSA-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 Rho-associated, coiled-coil containing protein kinase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase Get druggable targets OG5_131020 All targets in OG5_131020
Onchocerca volvulus Get druggable targets OG5_131020 All targets in OG5_131020
Schistosoma japonicum IPR002219,Protein kinase C, phorbol ester/diacylglycerol binding,domain-containing Get druggable targets OG5_131020 All targets in OG5_131020
Schistosoma japonicum Rho-associated protein kinase 1, putative Get druggable targets OG5_131020 All targets in OG5_131020
Echinococcus granulosus rho-associated protein kinase 1 Get druggable targets OG5_131020 All targets in OG5_131020
Onchocerca volvulus Get druggable targets OG5_131020 All targets in OG5_131020
Echinococcus multilocularis rho associated protein kinase Get druggable targets OG5_131020 All targets in OG5_131020
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_131020 All targets in OG5_131020
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131020 All targets in OG5_131020
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 aryl hydrocarbon receptor 0.0015 0.0056 0.0148
Treponema pallidum ATP-dependent RNA helicase 0.0212 0.3752 0.5
Leishmania major protein kinase, putative 0.0015 0.0063 0.0039
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0212 0.3752 1
Loa Loa (eye worm) hypothetical protein 0.0212 0.3752 0.3752
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0015 0.0063 0.0039
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0015 0.0056 0.002
Schistosoma mansoni serine/threonine protein kinase 0.0176 0.3068 0.8178
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0015 0.0056 0.002
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0212 0.3752 0.7694
Schistosoma mansoni single-minded 0.0057 0.0846 0.2255
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0212 0.3752 1
Plasmodium vivax RNA helicase-1, putative 0.0212 0.3752 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0212 0.3752 1
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0015 0.0056 0.5
Onchocerca volvulus 0.0175 0.3061 0.6278
Plasmodium falciparum eukaryotic initiation factor 4A 0.0212 0.3752 0.5
Echinococcus multilocularis rho associated protein kinase 0.0176 0.3068 0.8178
Onchocerca volvulus 0.0042 0.0569 0.1166
Loa Loa (eye worm) pax transcription factor protein 2 0.0272 0.4876 0.4876
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0212 0.3752 1
Onchocerca volvulus 0.0176 0.3068 0.6293
Mycobacterium ulcerans putative regulatory protein 0.0042 0.0569 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0056 0.0056
Brugia malayi hypoxia-induced factor 1 0.0177 0.3084 0.3084
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0015 0.0063 0.0039
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0212 0.3752 1
Brugia malayi Pax transcription factor protein 2 0.0272 0.4876 0.4876
Mycobacterium leprae Possible regulatory protein 0.0015 0.0056 0.5
Onchocerca volvulus 0.0272 0.4876 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0212 0.3752 0.5
Brugia malayi hypothetical protein 0.0191 0.3362 0.3362
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0015 0.0056 0.0056
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0212 0.3752 0.5
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0212 0.3752 0.5
Echinococcus granulosus eukaryotic initiation factor 4A 0.0212 0.3752 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0212 0.3752 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0177 0.3084 0.3084
Echinococcus granulosus rho-associated protein kinase 1 0.0176 0.3068 0.8178
Echinococcus granulosus aryl hydrocarbon receptor 0.0015 0.0056 0.0148
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0212 0.3752 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.3362 0.3362
Onchocerca volvulus 0.0015 0.0056 0.0114
Echinococcus multilocularis transfer RNA-Lys 0.0042 0.0569 0.1516
Leishmania major eukaryotic initiation factor 4a, putative 0.0212 0.3752 1
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0015 0.0056 0.0148
Loa Loa (eye worm) CYP4Cod1 0.0014 0.0048 0.0048
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0212 0.3752 1
Leishmania major protein kinase, putative 0.0015 0.0063 0.0039
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0212 0.3752 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0014 0.0048 0.0048
Schistosoma mansoni aryl hydrocarbon receptor 0.0057 0.0846 0.2255
Loa Loa (eye worm) cytochrome P450 family protein 0.0014 0.0048 0.0048
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0015 0.0056 0.002
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0212 0.3752 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0212 0.3752 1
Brugia malayi bHLH-PAS transcription factor 0.0042 0.0569 0.0569
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0212 0.3752 1
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0015 0.0063 0.0039
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0546 1 1
Brugia malayi PAS domain containing protein 0.0057 0.0846 0.0846
Brugia malayi eukaryotic initiation factor 4A 0.0212 0.3752 0.3752
Brugia malayi Cytochrome P450 family protein 0.0014 0.0048 0.0048
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0015 0.0056 0.0148
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0015 0.0063 0.0039
Echinococcus granulosus single minded 2 0.0042 0.0569 0.1516
Brugia malayi Cytochrome P450 family protein 0.0014 0.0048 0.0048
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0212 0.3752 1

Activities

No activities found for this compound.

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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