Detailed information for compound 650960

Basic information

Technical information
  • TDR Targets ID: 650960
  • Name: 5378-29-0
  • MW: 267.322 | Formula: C17H17NO2
  • H donors: 0 H acceptors: 2 LogP: 2.73 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C2C3CCC(C2C(=O)N1c1ccc(cc1)C)C=C3
  • InChi: 1S/C17H17NO2/c1-10-2-8-13(9-3-10)18-16(19)14-11-4-5-12(7-6-11)15(14)17(18)20/h2-5,8-9,11-12,14-15H,6-7H2,1H3
  • InChiKey: SHJXHBXASKLWHY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • EU-0075122
  • A2590/0110285

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 cyclin B3, putative 0.0021 0.1459 0.1459
Echinococcus granulosus cyclins 0.0021 0.1459 0.1459
Trypanosoma cruzi cdc2-related kinase 3 0.0051 0.4311 0.4311
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.4311 0.4311
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.2782 0.2782
Onchocerca volvulus Hexokinase homolog 0.0048 0.4045 0.4045
Giardia lamblia Kinase, CMGC GSK 0.0112 1 1
Echinococcus granulosus cyclins 0.0021 0.1459 0.1459
Schistosoma mansoni hypothetical protein 0.0092 0.8082 0.8082
Echinococcus granulosus cyclin dependent kinase 1 0.0051 0.4311 0.4311
Entamoeba histolytica hypothetical protein 0.0035 0.2782 0.2782
Trichomonas vaginalis cyclin A, putative 0.005 0.415 0.415
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0051 0.4311 0.4311
Entamoeba histolytica protein kinase domain containing protein 0.0112 1 1
Leishmania major hexokinase, putative 0.0077 0.6723 0.6723
Echinococcus granulosus kelch ECH associated protein 1 0.0091 0.8058 0.8058
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.008 0.7008 0.7008
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0112 1 1
Trichomonas vaginalis cyclins, putative 0.005 0.415 0.415
Toxoplasma gondii hypothetical protein 0.0016 0.0995 0.0995
Loa Loa (eye worm) hexokinase 0.0024 0.176 0.176
Loa Loa (eye worm) hexokinase 0.0077 0.6723 0.6723
Loa Loa (eye worm) cyclin domain-containing protein 0.0021 0.1459 0.1459
Echinococcus multilocularis hexokinase 0.0077 0.6723 0.6723
Loa Loa (eye worm) hypothetical protein 0.0025 0.1821 0.1821
Entamoeba histolytica protein kinase domain containing protein 0.0112 1 1
Trichomonas vaginalis cyclin B, putative 0.005 0.415 0.415
Schistosoma mansoni hypothetical protein 0.0035 0.2782 0.2782
Echinococcus multilocularis hexokinase 0.0077 0.6723 0.6723
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.005 0.415 0.415
Echinococcus granulosus cyclin dependent kinase 0.0051 0.4311 0.4311
Leishmania major hexokinase, putative 0.0077 0.6723 0.6723
Giardia lamblia Hypothetical protein 0.0021 0.1459 0.1459
Leishmania major cyclin 0.005 0.415 0.415
Trypanosoma brucei protein kinase, putative 0.0112 1 1
Echinococcus multilocularis protein kinase shaggy 0.0112 1 1
Brugia malayi Protein kinase domain containing protein 0.0051 0.4311 0.4311
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.008 0.7008 0.7008
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0051 0.4311 0.4311
Echinococcus multilocularis hexokinase 0.0077 0.6723 0.6723
Onchocerca volvulus 0.005 0.415 0.415
Trichomonas vaginalis CMGC family protein kinase 0.0112 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.2782 0.2782
Trypanosoma brucei mitotic cyclin 6 0.005 0.415 0.415
Echinococcus multilocularis cyclins 0.0021 0.1459 0.1459
Trichomonas vaginalis CMGC family protein kinase 0.0112 1 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.005 0.415 0.415
Plasmodium falciparum protein kinase 5 0.0051 0.4311 0.4311
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.4311 0.4311
Schistosoma mansoni hypothetical protein 0.008 0.7008 0.7008
Entamoeba histolytica cyclin family protein 0.0021 0.1459 0.1459
Echinococcus multilocularis cyclin B3 1 0.0021 0.1459 0.1459
Brugia malayi hexokinase 0.0077 0.6723 0.6723
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.008 0.7008 0.7008
Plasmodium falciparum cyclin 0.0021 0.1459 0.1459
Entamoeba histolytica cell division protein kinase 2, putative 0.0051 0.4311 0.4311
Entamoeba histolytica hypothetical protein 0.0035 0.2782 0.2782
Echinococcus multilocularis cyclins 0.0021 0.1459 0.1459
Echinococcus multilocularis cyclins 0.0021 0.1459 0.1459
Trichomonas vaginalis cyclins, putative 0.005 0.415 0.415
Echinococcus granulosus hexokinase 0.0077 0.6723 0.6723
Echinococcus granulosus cyclin B 0.005 0.415 0.415
Entamoeba histolytica cell division protein kinase 2, putative 0.0051 0.4311 0.4311
Echinococcus granulosus hexokinase type 2 0.0077 0.6723 0.6723
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0112 1 1
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0021 0.1459 0.1459
Loa Loa (eye worm) hypothetical protein 0.005 0.4161 0.4161
Echinococcus multilocularis cyclins 0.0021 0.1459 0.1459
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0112 1 1
Trypanosoma cruzi hexokinase, putative 0.0077 0.6723 0.6723
Plasmodium falciparum glycogen synthase kinase 3 0.0112 1 1
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0112 1 1
Echinococcus multilocularis hexokinase type 2 0.0077 0.6723 0.6723
Schistosoma mansoni hexokinase 0.0077 0.6723 0.6723
Echinococcus multilocularis cyclins 0.0021 0.1459 0.1459
Schistosoma mansoni cyclin B 0.005 0.415 0.415
Schistosoma mansoni hypothetical protein 0.008 0.7008 0.7008
Plasmodium vivax hexokinase, putative 0.0077 0.6723 0.6723
Trichomonas vaginalis cyclin B, putative 0.005 0.415 0.415
Echinococcus granulosus cyclin dependent kinase 5 0.0051 0.4311 0.4311
Loa Loa (eye worm) hypothetical protein 0.005 0.415 0.415
Giardia lamblia Kinase, CMGC CDK 0.0051 0.4311 0.4311
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.4311 0.4311
Trichomonas vaginalis cyclin B, putative 0.005 0.415 0.415
Onchocerca volvulus 0.0112 1 1
Trichomonas vaginalis cyclin D, putative 0.0021 0.1459 0.1459
Echinococcus granulosus cyclins 0.0021 0.1459 0.1459
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0051 0.4311 0.4311
Onchocerca volvulus 0.0077 0.6723 0.6723
Loa Loa (eye worm) hexokinase 0.0048 0.4045 0.4045
Brugia malayi Hexokinase family protein 0.0024 0.176 0.176
Trichomonas vaginalis cyclins, putative 0.005 0.415 0.415
Plasmodium falciparum hexokinase 0.0077 0.6723 0.6723
Echinococcus granulosus kelch ECH associated protein 1 like 0.0091 0.8058 0.8058
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0051 0.4311 0.4311
Trichomonas vaginalis cyclin B, putative 0.005 0.415 0.415
Loa Loa (eye worm) hypothetical protein 0.008 0.7008 0.7008
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0112 1 1
Echinococcus granulosus hexokinase 0.0077 0.6723 0.6723
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.008 0.7008 0.7008
Echinococcus multilocularis kelch ECH associated protein 1 0.0091 0.8058 0.8058
Trypanosoma cruzi cyclin, putative 0.005 0.415 0.415
Loa Loa (eye worm) hypothetical protein 0.0053 0.4438 0.4438
Echinococcus granulosus cyclins 0.0021 0.1459 0.1459
Giardia lamblia Kinase, CMGC GSK 0.0112 1 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.005 0.415 0.415
Trichomonas vaginalis cyclins, putative 0.0034 0.269 0.269
Schistosoma mansoni apoptosis regulator bax 0.008 0.7008 0.7008
Trichomonas vaginalis cyclin D, putative 0.0021 0.1459 0.1459
Giardia lamblia Kinase, CMGC CDK 0.0051 0.4311 0.4311
Echinococcus multilocularis cyclins 0.0021 0.1459 0.1459
Brugia malayi hypothetical protein 0.0035 0.2782 0.2782
Trypanosoma brucei cdc2-related kinase 1 0.0051 0.4311 0.4311
Echinococcus multilocularis cyclin b3 0.0021 0.1459 0.1459
Brugia malayi Hexokinase family protein 0.0077 0.6723 0.6723
Brugia malayi cell division control protein 2 homolog 0.0051 0.4311 0.4311
Entamoeba histolytica protein kinase, putative 0.0112 1 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0051 0.4311 0.4311
Echinococcus granulosus cyclin B3 1 0.0021 0.1459 0.1459
Entamoeba histolytica hexokinase 2 0.0077 0.6723 0.6723
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.008 0.7008 0.7008
Entamoeba histolytica cyclin, putative 0.005 0.415 0.415
Trichomonas vaginalis cyclin B, putative 0.0021 0.1459 0.1459
Brugia malayi Hexokinase family protein 0.0048 0.4045 0.4045
Trichomonas vaginalis cyclins, putative 0.005 0.415 0.415
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.2782 0.2782
Echinococcus multilocularis cyclin dependent kinase 5 0.0051 0.4311 0.4311
Entamoeba histolytica hexokinase 1 0.0077 0.6723 0.6723
Echinococcus multilocularis cyclin B 0.005 0.415 0.415
Giardia lamblia Cyclin A 0.0021 0.1459 0.1459
Echinococcus multilocularis cyclin dependent kinase 0.0051 0.4311 0.4311
Entamoeba histolytica hypothetical protein 0.0035 0.2782 0.2782
Echinococcus granulosus protein kinase shaggy 0.0112 1 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0112 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.2782 0.2782
Loa Loa (eye worm) hexokinase 0.0077 0.6723 0.6723
Loa Loa (eye worm) hypothetical protein 0.005 0.415 0.415
Loa Loa (eye worm) hypothetical protein 0.0029 0.2226 0.2226
Trypanosoma cruzi cdc2-related kinase 1 0.0051 0.4311 0.4311
Onchocerca volvulus 0.0077 0.6723 0.6723
Echinococcus granulosus cyclins 0.0021 0.1459 0.1459
Trypanosoma brucei hexokinase 0.0077 0.6723 0.6723
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0051 0.4311 0.4311
Echinococcus granulosus kelch ECH associated protein 1 like 0.0091 0.8058 0.8058
Echinococcus multilocularis cyclins 0.0021 0.1459 0.1459
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.4311 0.4311
Onchocerca volvulus 0.0077 0.6723 0.6723
Entamoeba histolytica cyclin, putative 0.0021 0.1459 0.1459
Trypanosoma brucei cdc2-related kinase 3 0.0051 0.4311 0.4311
Plasmodium vivax protein kinase Crk2 0.0051 0.4311 0.4311
Echinococcus multilocularis kelch ECH associated protein 1 0.0091 0.8058 0.8058
Giardia lamblia G2/mitotic-specific cyclin B 0.005 0.415 0.415
Echinococcus granulosus hexokinase 0.0077 0.6723 0.6723
Trypanosoma brucei hexokinase, putative 0.0077 0.6723 0.6723
Trypanosoma cruzi cyclin 6, putative 0.005 0.415 0.415
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.4311 0.4311
Onchocerca volvulus 0.0048 0.4045 0.4045
Trypanosoma cruzi hexokinase, putative 0.0077 0.6723 0.6723
Trichomonas vaginalis cyclins, putative 0.0021 0.1459 0.1459
Treponema pallidum hexokinase (hxk) 0.0077 0.6723 0.5
Loa Loa (eye worm) hexokinase type II 0.0077 0.6723 0.6723
Brugia malayi hexokinase type II 0.0025 0.1821 0.1821
Trypanosoma brucei hexokinase 0.0077 0.6723 0.6723
Toxoplasma gondii hexokinase 0.0077 0.6723 0.6723
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.1459 0.1459
Trypanosoma cruzi cyclin, putative 0.005 0.415 0.415
Echinococcus multilocularis cyclin dependent kinase 1 0.0051 0.4311 0.4311
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0112 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.1821 0.1821
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.008 0.7008 0.7008
Schistosoma mansoni hypothetical protein 0.008 0.7008 0.7008
Schistosoma mansoni cyclin B3 0.0021 0.1459 0.1459
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0051 0.4311 0.4311
Trypanosoma cruzi CYC2-like cyclin, putative 0.005 0.415 0.415
Echinococcus multilocularis Kelch repeat type 1 0.0092 0.8082 0.8082
Loa Loa (eye worm) apoptosis regulator protein 0.008 0.7008 0.7008
Echinococcus granulosus cyclin b3 0.0021 0.1459 0.1459
Trypanosoma cruzi cdc2-related kinase 3 0.0051 0.4311 0.4311
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0112 1 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0021 0.1459 0.1459
Entamoeba histolytica cyclin family protein 0.0021 0.1459 0.1459
Schistosoma mansoni cyclins 0.0021 0.1459 0.1459
Plasmodium vivax glycogen synthase kinase 3, putative 0.0112 1 1
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0021 0.1459 0.1459
Trypanosoma cruzi cdc2-related kinase 1 0.0051 0.4311 0.4311
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0051 0.4311 0.4311

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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