Detailed information for compound 1854786

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 224.687 | Formula: C11H13ClN2O
  • H donors: 1 H acceptors: 1 LogP: 3.21 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCn1[nH]c2c(c1=O)cc(cc2)Cl
  • InChi: 1S/C11H13ClN2O/c1-2-3-6-14-11(15)9-7-8(12)4-5-10(9)13-14/h4-5,7,13H,2-3,6H2,1H3
  • InChiKey: CKXXPKIAURTZLX-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
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0014 0.0023 0.0537
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0014 0.0023 0.0537
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0014 0.0023 0.0537
Mycobacterium ulcerans electron transfer protein FdxB 0.0014 0.0023 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.0014 0.0023 0.0537
Trypanosoma brucei fatty acid desaturase, putative 0.0069 0.0436 1
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0014 0.0023 0.5
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.1336 0.9996 0.9996
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0014 0.0023 0.0537
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0014 0.0023 0.0537
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0014 0.0023 0.0537
Leishmania major fatty acid desaturase, putative 0.0014 0.0023 0.0537
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0014 0.0023 0.5
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0014 0.0023 0.5
Entamoeba histolytica protein kinase, putative 0.1337 1 1
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0014 0.0023 0.0537
Leishmania major delta-5 fatty acid desaturase 0.0014 0.0023 0.0537
Mycobacterium ulcerans hypothetical protein 0.0014 0.0023 0.5
Mycobacterium tuberculosis Probable conserved membrane protein 0.0014 0.0023 0.5
Leishmania major delta-4 fatty acid desaturase 0.0014 0.0023 0.0537
Schistosoma mansoni serine/threonine protein kinase 0.1337 1 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.1336 0.9996 0.9996
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.1337 1 1
Leishmania major fatty-acid desaturase, putative 0.0069 0.0436 1
Entamoeba histolytica protein kinase, putative 0.1337 1 1
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0014 0.0023 0.0537
Leishmania major fatty acid desaturase, putative 0.0014 0.0023 0.0537
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.0055 0.0327 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.0055 0.0327 0.75
Onchocerca volvulus 0.0069 0.0436 1
Brugia malayi acyl-CoA desaturase 0.0055 0.0327 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0055 0.0327 0.75
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0014 0.0023 0.5
Mycobacterium ulcerans hypothetical protein 0.0014 0.0023 0.5
Leishmania major stearic acid desaturase, putative 0.0069 0.0436 1
Loa Loa (eye worm) acyl-CoA desaturase 0.0055 0.0327 1
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0014 0.0023 0.5
Trypanosoma brucei delta-4 fatty acid desaturase 0.0014 0.0023 0.0537
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0014 0.0023 0.0537
Trypanosoma cruzi fatty acid desaturase, putative 0.0069 0.0436 1
Leishmania major delta-12 fatty acid desaturase 0.0014 0.0023 0.0537
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0014 0.0023 0.5
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0014 0.0023 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.0014 0.0023 0.0537
Leishmania major delta-6 fatty acid desaturase 0.0014 0.0023 0.0537
Plasmodium falciparum stearoyl-CoA desaturase 0.0055 0.0327 0.5
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0014 0.0023 0.0537
Onchocerca volvulus 0.0069 0.0436 1
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0014 0.0023 0.0537

Activities

Activity type Activity value Assay description Source Reference
Control (functional) = 74 % Reduction of serum cholesterol in CF1 male mice on day 16 following 20 mg/kg/day i.p. administration. ChEMBL. 6737419
Control (functional) = 76 % Reduction of serum cholesterol in CF1 male mice on day 9 following 20 mg/kg/day i.p. administration. ChEMBL. 6737419
Control (functional) = 83 % Reduction of serum triglycerides in CF1 male mice on day 16 following 20 mg/kg/day i.p. administration. ChEMBL. 6737419

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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