Detailed information for compound 770297

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 281.778 | Formula: C15H20ClNO2
  • H donors: 1 H acceptors: 2 LogP: 2.41 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN1CCCC(C1)C(=O)c1ccc(cc1C)Cl
  • InChi: 1S/C15H20ClNO2/c1-11-9-13(16)4-5-14(11)15(19)12-3-2-6-17(10-12)7-8-18/h4-5,9,12,18H,2-3,6-8,10H2,1H3
  • InChiKey: VRZVTCFPJBMWRA-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
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0485 0.0904
Schistosoma mansoni thyroid hormone receptor 0.0141 0.5364 1
Brugia malayi Pre-SET motif family protein 0.0216 0.8678 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.2271 0.4234
Schistosoma mansoni hypothetical protein 0.0131 0.4899 0.9134
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0435 0.0887
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0131 0.4899 0.9134
Brugia malayi secreted modular calcium-binding protein 1 0.0093 0.3201 0.3689
Echinococcus multilocularis tar DNA binding protein 0.0071 0.2271 0.4234
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 0.2707 1
Brugia malayi Thyroglobulin type-1 repeat family protein 0.0093 0.3201 0.3689
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 0.2707 1
Schistosoma mansoni thyroid hormone receptor 0.0141 0.5364 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.2271 0.2617
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0485 0.0904
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0081 0.2707 1
Giardia lamblia DINP protein human, muc B family 0.002 0 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.2707 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0485 0.0904
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.1469 1
Loa Loa (eye worm) RNA binding protein 0.0071 0.2271 0.2617
Trypanosoma brucei DNA polymerase IV, putative 0.002 0 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.2707 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0.3201 0.3689
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0216 0.8678 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0081 0.2707 0.5
Onchocerca volvulus 0.0093 0.3201 0.2855
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.002 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.2271 0.4234
Schistosoma mansoni peptidase Clp (S14 family) 0.0081 0.2707 0.5047
Echinococcus granulosus insulin growth factor binding 0.0122 0.4525 0.9236
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0 0.5
Brugia malayi Thyroglobulin type-1 repeat family protein 0.0093 0.3201 0.3689
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0131 0.4899 1
Loa Loa (eye worm) thyroglobulin type-1 repeat family protein 0.0093 0.3201 0.3689
Schistosoma mansoni tar DNA-binding protein 0.0071 0.2271 0.4234
Onchocerca volvulus 0.0093 0.3201 0.2855
Schistosoma mansoni tar DNA-binding protein 0.0071 0.2271 0.4234
Leishmania major DNA polymerase eta, putative 0.002 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0081 0.2707 0.5047
Loa Loa (eye worm) TAR-binding protein 0.0071 0.2271 0.2617
Schistosoma mansoni tar DNA-binding protein 0.0071 0.2271 0.4234
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0485 0.0568
Echinococcus multilocularis thyroid hormone receptor alpha 0.0141 0.5364 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0.3201 0.3689
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0485 0.0904
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.2707 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0 0.5
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.1469 0.2998
Loa Loa (eye worm) hypothetical protein 0.0031 0.0485 0.0559
Plasmodium vivax SET domain protein, putative 0.0031 0.0485 0.0568
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0485 0.099
Onchocerca volvulus 0.0093 0.3201 0.2855
Echinococcus granulosus tar DNA binding protein 0.0071 0.2271 0.4635
Loa Loa (eye worm) hypothetical protein 0.0093 0.3201 0.3689
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.2271 0.2617
Schistosoma mansoni insulin-like growth factor binding protein-related 0.0122 0.4525 0.8436
Brugia malayi Pre-SET motif family protein 0.0031 0.0485 0.0559
Trichomonas vaginalis set domain proteins, putative 0.0246 1 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0081 0.2707 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.1469 1
Brugia malayi Thyroglobulin type-1 repeat family protein 0.0093 0.3201 0.3689
Onchocerca volvulus 0.0093 0.3201 0.2855
Brugia malayi Probable ClpP-like protease 0.0081 0.2707 0.3119
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.2707 0.5
Trypanosoma brucei unspecified product 0.002 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0485 0.0904
Brugia malayi RNA binding protein 0.0071 0.2271 0.2617
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.2707 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.2707 0.3119
Trypanosoma brucei DNA polymerase IV, putative 0.002 0 0.5
Brugia malayi TAR-binding protein 0.0071 0.2271 0.2617
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.1469 0.2739
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0485 0.0904
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0081 0.2707 0.5526
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Loa Loa (eye worm) thyroglobulin type-1 repeat family protein 0.0093 0.3201 0.3689
Loa Loa (eye worm) hypothetical protein 0.0093 0.3201 0.3689
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Echinococcus multilocularis insulin growth factor binding 0.0122 0.4525 0.8436
Leishmania major DNA polymerase kappa, putative 0.002 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.2707 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.1469 0.4744

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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