Detailed information for compound 264299

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 278.348 | Formula: C18H18N2O
  • H donors: 0 H acceptors: 1 LogP: 3.84 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)n(c1ccccc1)c(nc2=O)C(C)C
  • InChi: 1S/C18H18N2O/c1-12(2)17-19-18(21)15-10-9-13(3)11-16(15)20(17)14-7-5-4-6-8-14/h4-12H,1-3H3
  • InChiKey: KWKRSYDZSZYXES-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.0199 0.0627
Echinococcus multilocularis cyclin dependent kinase 1 0.0512 0.2456 0.2337
Entamoeba histolytica cyclin, putative 0.0053 0.0155 0.0445
Trichomonas vaginalis cyclin B, putative 0.0053 0.0155 0.0445
Loa Loa (eye worm) TK/EGFR protein kinase 0.0058 0.0181 0.0148
Echinococcus granulosus cGMP dependent protein kinase 1 0.0061 0.0194 0.0039
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0096 0.0367 0.032
Echinococcus granulosus expressed conserved protein 0.008 0.0287 0.0134
Echinococcus granulosus epidermal growth factor receptor 0.0058 0.0181 0.0026
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0032 0.0048 0.0059
Echinococcus granulosus histone deacetylase 1 0.0062 0.0199 0.0044
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.018 0.0789 0.0745
Trypanosoma brucei mitotic cyclin 6 0.0053 0.0155 0.0445
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0093 0.0353 0.1266
Loa Loa (eye worm) hypothetical protein 0.0053 0.0155 0.0122
Trypanosoma brucei histone deacetylase 1 0.0062 0.0199 0.0627
Loa Loa (eye worm) hypothetical protein 0.0499 0.2393 0.2367
Schistosoma mansoni tyrosine kinase 0.0058 0.0181 0.0134
Echinococcus granulosus cyclin dependent kinase 0.0512 0.2456 0.2337
Trichomonas vaginalis CMGC family protein kinase 0.0512 0.2456 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0155 0.0122
Schistosoma mansoni histone deacetylase 0.0062 0.0199 0.0152
Echinococcus multilocularis histone deacetylase 3 0.0062 0.0199 0.0044
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0643 0.3114 0.3006
Giardia lamblia Kinase, CMGC CDK 0.0512 0.2456 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.0199 0.0627
Trichomonas vaginalis cyclin D, putative 0.0053 0.0155 0.0445
Loa Loa (eye worm) hypothetical protein 0.0332 0.1551 0.1523
Trichomonas vaginalis cyclins, putative 0.0053 0.0155 0.0445
Schistosoma mansoni tyrosine kinase 0.0058 0.0181 0.0134
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.0199 0.0682
Brugia malayi Cyclin, N-terminal domain containing protein 0.0053 0.0155 0.0108
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0512 0.2456 0.243
Loa Loa (eye worm) hypothetical protein 0.007 0.024 0.0206
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0096 0.0367 0.1324
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.018 0.0789 0.0644
Onchocerca volvulus 0.0505 0.2421 1
Echinococcus multilocularis cyclin dependent kinase 0.0512 0.2456 0.2337
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0084 0.0312 0.0159
Echinococcus multilocularis epidermal growth factor receptor 0.0058 0.0181 0.0026
Trichomonas vaginalis cyclin B3, putative 0.0053 0.0155 0.0445
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0199 0.0627
Trypanosoma cruzi cyclin 6, putative 0.0053 0.0155 0.0501
Entamoeba histolytica hypothetical protein 0.0076 0.0269 0.0918
Echinococcus granulosus histone deacetylase 3 0.0062 0.0199 0.0044
Loa Loa (eye worm) hypothetical protein 0.0034 0.0057 0.0023
Plasmodium falciparum histone deacetylase 1 0.0062 0.0199 0.019
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.0194 0.0146
Brugia malayi Cyclin, N-terminal domain containing protein 0.0053 0.0155 0.0108
Echinococcus granulosus cGMP dependent protein kinase 0.0061 0.0194 0.0039
Brugia malayi bZIP transcription factor family protein 0.0643 0.3114 0.3081
Toxoplasma gondii histone deacetylase HDAC2 0.0062 0.0199 0.0458
Brugia malayi Egg laying defective protein 4 0.0061 0.0194 0.0146
Brugia malayi cell division control protein 2 homolog 0.0512 0.2456 0.242
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.0199 0.0682
Schistosoma mansoni tyrosine kinase 0.0057 0.0176 0.0129
Brugia malayi Cyclin, N-terminal domain containing protein 0.0053 0.0155 0.0108
Schistosoma mansoni serine/threonine protein kinase 0.0512 0.2456 0.242
Trypanosoma cruzi cyclin, putative 0.0053 0.0155 0.0501
Giardia lamblia Hypothetical protein 0.0053 0.0155 0.0633
Schistosoma mansoni hypothetical protein 0.008 0.0287 0.024
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.018 0.0789 0.0644
Loa Loa (eye worm) histone deacetylase 1 0.0062 0.0199 0.0166
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0066 0.0217 0.0701
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0062 0.0198 0.0151
Schistosoma mansoni hypothetical protein 0.0523 0.251 0.2474
Plasmodium falciparum cGMP-dependent protein kinase 0.0061 0.0194 0.0167
Schistosoma mansoni cyclins 0.0053 0.0155 0.0108
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0199 0.0627
Trypanosoma brucei cdc2-related kinase 3 0.0512 0.2456 1
Trichomonas vaginalis cyclins, putative 0.0053 0.0155 0.0445
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0512 0.2456 0.243
Brugia malayi histone deacetylase 3 (HD3) 0.0062 0.0199 0.0152
Echinococcus granulosus cGMP dependent protein kinase 1 0.0061 0.0194 0.0039
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.0199 0.0627
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0199 0.0627
Schistosoma mansoni jun-related protein 0.0523 0.251 0.2474
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0512 0.2456 0.2337
Loa Loa (eye worm) histone deacetylase 3 0.0062 0.0199 0.0166
Echinococcus multilocularis histone deacetylase 1 0.0062 0.0199 0.0044
Loa Loa (eye worm) hypothetical protein 0.0625 0.3026 0.3002
Trichomonas vaginalis cyclin B, putative 0.0053 0.0155 0.0445
Brugia malayi Protein kinase domain containing protein 0.0071 0.0245 0.0197
Loa Loa (eye worm) TK/INSR protein kinase 0.0129 0.0533 0.0501
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0062 0.0198 0.0044
Schistosoma mansoni tyrosine kinase 0.0057 0.0176 0.0129
Mycobacterium ulcerans hypothetical protein 0.0048 0.0131 0.5
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0084 0.0312 0.0159
Loa Loa (eye worm) phosphatidylinositol 3 0.016 0.0691 0.066
Trichomonas vaginalis cyclins, putative 0.0053 0.0155 0.0445
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0046 0.0119 0.0485
Entamoeba histolytica cyclin, putative 0.0053 0.0155 0.0445
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0062 0.0198 0.0044
Brugia malayi Cyclin, N-terminal domain containing protein 0.0722 0.351 0.3479
Trypanosoma cruzi cdc2-related kinase 1 0.0512 0.2456 1
Plasmodium falciparum protein kinase 5 0.0512 0.2456 1
Brugia malayi histone deacetylase 1 (HD1) 0.0062 0.0199 0.0152
Schistosoma mansoni tyrosine kinase 0.0129 0.0533 0.0487
Echinococcus granulosus cyclin dependent kinase 1 0.0512 0.2456 0.2337
Loa Loa (eye worm) cyclin domain-containing protein 0.0053 0.0155 0.0122
Giardia lamblia Histone deacetylase 0.0062 0.0199 0.0811
Trichomonas vaginalis cyclin B, putative 0.0053 0.0155 0.0445
Echinococcus granulosus insulin receptor 0.0129 0.0533 0.0383
Trypanosoma cruzi cdc2-related kinase 3 0.0512 0.2456 1
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.2016 1 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0512 0.2456 0.2337
Brugia malayi Protein kinase domain containing protein 0.0512 0.2456 0.242
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0199 0.0627
Schistosoma mansoni serine/threonine protein kinase 0.2016 1 1
Brugia malayi Protein kinase domain containing protein 0.0129 0.0533 0.0487
Entamoeba histolytica cyclin family protein 0.0053 0.0155 0.0445
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0643 0.3114 0.3006
Echinococcus granulosus c-Jun N-terminal kinases 0.2016 1 1
Entamoeba histolytica histone deacetylase, putative 0.0062 0.0199 0.0627
Trypanosoma cruzi CYC2-like cyclin, putative 0.0053 0.0155 0.0501
Schistosoma mansoni histone deacetylase 0.0062 0.0199 0.0152
Echinococcus granulosus jun protein 0.0643 0.3114 0.3006
Echinococcus multilocularis epidermal growth factor receptor 0.0058 0.0181 0.0026
Toxoplasma gondii histone deacetylase HDAC3 0.0062 0.0199 0.0458
Entamoeba histolytica cell division protein kinase 2, putative 0.0512 0.2456 1
Giardia lamblia Cyclin A 0.0053 0.0155 0.0633
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0512 0.2456 0.243
Brugia malayi SH2 domain containing protein 0.0332 0.1551 0.151
Trichomonas vaginalis cyclins, putative 0.0053 0.0155 0.0445
Trichomonas vaginalis cyclin B, putative 0.0053 0.0155 0.0445
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0199 0.0627
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0042 0.01 0.0217
Leishmania major histone deacetylase, putative 0.0062 0.0199 0.019
Schistosoma mansoni cyclin B 0.0053 0.0155 0.0108
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0061 0.0194 0.0039
Schistosoma mansoni cyclin B3 0.0053 0.0155 0.0108
Loa Loa (eye worm) hypothetical protein 0.0062 0.0199 0.0166
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0512 0.2456 1
Brugia malayi hypothetical protein 0.0505 0.2421 0.2385
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0076 0.0269 0.0918
Echinococcus granulosus epidermal growth factor receptor 0.0058 0.0181 0.0026
Echinococcus multilocularis jun protein 0.0643 0.3114 0.3006
Schistosoma mansoni serine/threonine protein kinase 0.0512 0.2456 0.242
Schistosoma mansoni tyrosine kinase 0.0058 0.0181 0.0134
Giardia lamblia G2/mitotic-specific cyclin B 0.0053 0.0155 0.0633
Entamoeba histolytica cell division protein kinase 2, putative 0.0512 0.2456 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0096 0.0367 0.1324
Trichomonas vaginalis cyclin A, putative 0.0053 0.0155 0.0445
Trypanosoma cruzi cdc2-related kinase 1 0.0512 0.2456 1
Trypanosoma cruzi cyclin, putative 0.0053 0.0155 0.0501
Giardia lamblia Kinase, CMGC CDK 0.0512 0.2456 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0096 0.0367 0.1324
Trichomonas vaginalis CMGC family protein kinase 0.0512 0.2456 1
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0512 0.2456 1
Trichomonas vaginalis cyclin D, putative 0.0053 0.0155 0.0445
Echinococcus multilocularis c Jun NH2 terminal kinase 0.2016 1 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0129 0.0533 0.0383
Echinococcus multilocularis cyclin dependent kinase 1 0.0512 0.2456 0.2337
Schistosoma mansoni tyrosine kinase 0.0057 0.0176 0.0129
Plasmodium vivax protein kinase Crk2 0.0512 0.2456 1
Trichomonas vaginalis CMGC family protein kinase 0.0512 0.2456 1
Trypanosoma brucei cdc2-related kinase 1 0.0512 0.2456 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0096 0.0367 0.1375
Loa Loa (eye worm) cyclin domain-containing protein 0.0722 0.351 0.3488
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0058 0.0181 0.0026
Echinococcus multilocularis expressed conserved protein 0.0061 0.0194 0.0039
Entamoeba histolytica cyclin family protein 0.0053 0.0155 0.0445
Brugia malayi Furin-like cysteine rich region family protein 0.0058 0.0181 0.0134
Trichomonas vaginalis cyclin B, putative 0.0053 0.0155 0.0445
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0096 0.0367 0.1375
Loa Loa (eye worm) AGC/PKG protein kinase 0.0061 0.0194 0.016
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0129 0.0533 0.0383
Schistosoma mansoni tyrosine kinase 0.0129 0.0533 0.0487
Echinococcus multilocularis insulin receptor 0.0129 0.0533 0.0383
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.0194 0.0146
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0155 0.0445
Echinococcus multilocularis expressed conserved protein 0.008 0.0287 0.0134
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0096 0.0367 0.1324
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0061 0.0194 0.0039
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0061 0.0194 0.0436
Leishmania major histone deacetylase, putative 0.0062 0.0199 0.019
Trypanosoma cruzi cdc2-related kinase 3 0.0512 0.2456 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0198 0.0165
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0066 0.0217 0.0701
Echinococcus granulosus cyclin dependent kinase 5 0.0512 0.2456 0.2337
Brugia malayi Histone deacetylase 1 0.0062 0.0199 0.0152
Trichomonas vaginalis cyclins, putative 0.0053 0.0155 0.0445
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0512 0.2456 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0084 0.031 0.0263
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0199 0.0627

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 30 % Percent inhibition against carrageenin-induced rat paw edema at 50 mg/kg dose administered perorally; 21-30% ChEMBL. 3872940

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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