Detailed information for compound 1468558

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.845 | Formula: C20H20ClN3O2
  • H donors: 2 H acceptors: 2 LogP: 4.62 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN/C=c/1\c(=O)[nH]c2c(n(c1=O)c1ccccc1)cc(cc2)Cl
  • InChi: 1S/C20H20ClN3O2/c1-2-3-11-22-13-16-19(25)23-17-10-9-14(21)12-18(17)24(20(16)26)15-7-5-4-6-8-15/h4-10,12-13,22H,2-3,11H2,1H3,(H,23,25)/b16-13+
  • InChiKey: DZWWSULJWYWHIB-DTQAZKPQSA-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 sphingosine kinase A, B, putative 0.0453 0.0189 0.5
Toxoplasma gondii diacylglycerol kinase, putative 0.0453 0.0189 1
Loa Loa (eye worm) hypothetical protein 0.0453 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0332 0.0082 0.0082
Schistosoma mansoni diacylglycerol kinase zeta iota 0.0453 0.0189 0.0189
Mycobacterium tuberculosis Conserved protein 1.163 1 1
Plasmodium falciparum diacylglycerol kinase, putative 0.0453 0.0189 1
Leishmania major diacylglycerol kinase-like protein 0.0453 0.0189 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0453 0.0189 0.5
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0332 0.0082 0.0082
Echinococcus granulosus Diacylglycerol kinase theta 0.0453 0.0189 0.0189
Trichomonas vaginalis sphingosine kinase, putative 0.0453 0.0189 1
Leishmania major diacylglycerol kinase, putative 0.0453 0.0189 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0332 0.0082 0.4364
Trichomonas vaginalis diacylglycerol kinase, putative 0.0453 0.0189 1
Echinococcus multilocularis ceramide kinase 0.0453 0.0189 0.0189
Giardia lamblia Rab geranylgeranyltransferase 0.0332 0.0082 0.5
Loa Loa (eye worm) hypothetical protein 1.163 1 1
Trypanosoma cruzi diacylglycerol kinase, putative 0.0453 0.0189 0.5
Loa Loa (eye worm) ceramide kinase 0.0453 0.0189 0.0189
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0332 0.0082 0.0082
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0332 0.0082 0.0082
Trypanosoma cruzi diacylglycerol kinase, putative 0.0453 0.0189 0.5
Brugia malayi diacylglycerol kinase 0.0453 0.0189 1
Brugia malayi hypothetical protein 0.0453 0.0189 1
Echinococcus granulosus ceramide kinase 0.0453 0.0189 0.0189
Echinococcus multilocularis Diacylglycerol kinase theta 0.0453 0.0189 0.0189
Entamoeba histolytica diacylglycerol kinase, putative 0.0453 0.0189 0.0189
Echinococcus granulosus Diacylglycerol kinase zeta 0.0453 0.0189 0.0189
Plasmodium vivax diacylglycerol kinase, putative 0.0453 0.0189 1
Entamoeba histolytica diacylglycerol kinase, putative 0.0453 0.0189 0.0189
Mycobacterium ulcerans hypothetical protein 1.163 1 1
Loa Loa (eye worm) eye-specific diacylglycerol kinase 0.0453 0.0189 0.0189
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0246 0.0007 0.0359
Trichomonas vaginalis bmru protein, putative 0.0453 0.0189 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0332 0.0082 0.4364
Brugia malayi Ceramide kinase 0.0453 0.0189 1
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0453 0.0189 0.5
Schistosoma mansoni sphingoid long chain base kinase 1.163 1 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0332 0.0082 0.0082
Echinococcus granulosus acylglycerol kinase mitochondrial 0.0453 0.0189 0.0189
Trypanosoma brucei Sphingosine kinase 0.0453 0.0189 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0332 0.0082 0.4364
Echinococcus multilocularis sphingosine kinase 1 1.163 1 1
Entamoeba histolytica hypothetical protein, conserved 1.163 1 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0332 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0453 0.0189 0.0189
Entamoeba histolytica diacylglycerol kinase, putative 0.0453 0.0189 0.0189
Trichomonas vaginalis bmru protein, putative 0.0453 0.0189 1
Trypanosoma cruzi Sphingosine kinase 0.0453 0.0189 0.5
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0453 0.0189 0.5
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0453 0.0189 0.5
Trichomonas vaginalis diacylglycerol kinase, putative 0.0453 0.0189 1
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.0453 0.0189 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0332 0.0082 0.4364
Plasmodium falciparum diacylglycerol kinase, putative 0.0453 0.0189 1
Brugia malayi Eye-specific diacylglycerol kinase 0.0453 0.0189 1
Onchocerca volvulus 0.0453 0.0189 0.5
Trichomonas vaginalis sphingosine kinase, putative 0.0453 0.0189 1
Plasmodium vivax diacylglycerol kinase, putative 0.0453 0.0189 1
Leishmania major hypothetical protein, conserved 0.0453 0.0189 0.5
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0453 0.0189 1
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0453 0.0189 0.5
Entamoeba histolytica diacylglycerol kinase, putative 0.0453 0.0189 0.0189
Brugia malayi diacylglycerol kinase 0.0453 0.0189 1
Schistosoma mansoni diacylglycerol kinase theta 0.0453 0.0189 0.0189
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0453 0.0189 1
Brugia malayi Diacylglycerol kinase protein 2 0.0453 0.0189 1
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0453 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0453 0.0189 0.0189
Leishmania major hypothetical protein, conserved 0.0453 0.0189 0.5
Echinococcus multilocularis acylglycerol kinase, mitochondrial 0.0453 0.0189 0.0189
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0453 0.0189 1
Trypanosoma brucei hypothetical protein, conserved 0.0453 0.0189 0.5
Schistosoma mansoni sphingosine kinase A B 1.163 1 1
Schistosoma mansoni diacylglycerol kinase theta 0.0453 0.0189 0.0189
Schistosoma mansoni hypothetical protein 0.0453 0.0189 0.0189
Trichomonas vaginalis conserved hypothetical protein 0.0453 0.0189 1
Onchocerca volvulus Ceramide kinase 1 homolog 0.0453 0.0189 0.5
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.0453 0.0189 1
Trypanosoma cruzi Sphingosine kinase 0.0453 0.0189 0.5
Echinococcus multilocularis Diacylglycerol kinase zeta 0.0453 0.0189 0.0189
Loa Loa (eye worm) diacylglycerol kinase 2 0.0453 0.0189 0.0189
Trypanosoma brucei diacylglycerol kinase, putative 0.0453 0.0189 0.5

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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