Detailed information for compound 933701

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.792 | Formula: C18H16ClN3O
  • H donors: 1 H acceptors: 2 LogP: 3.45 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccnc1)N/N=C/C1=C(Cl)c2ccccc2CCC1
  • InChi: 1S/C18H16ClN3O/c19-17-14(7-3-6-13-5-1-2-9-16(13)17)12-21-22-18(23)15-8-4-10-20-11-15/h1-2,4-5,8-12H,3,6-7H2,(H,22,23)/b21-12+
  • InChiKey: QBUSTQMSXMFUHY-CIAFOILYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trypanosoma brucei diacylglycerol kinase, putative 0.0081 0 0.5
Trypanosoma cruzi diacylglycerol kinase, putative 0.0081 0 0.5
Leishmania major diacylglycerol kinase, putative 0.0081 0 0.5
Trichomonas vaginalis bmru protein, putative 0.0081 0 0.5
Leishmania major hypothetical protein, conserved 0.0081 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0081 0 0.5
Trichomonas vaginalis bmru protein, putative 0.0081 0 0.5
Trypanosoma cruzi Sphingosine kinase 0.0081 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0 0.5
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0081 0 0.5
Trypanosoma brucei Sphingosine kinase 0.0081 0 0.5
Trichomonas vaginalis diacylglycerol kinase, putative 0.0081 0 0.5
Toxoplasma gondii diacylglycerol kinase, putative 0.0081 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.018 0.0491 0.0491
Schistosoma mansoni sphingoid long chain base kinase 0.2087 1 1
Plasmodium vivax diacylglycerol kinase, putative 0.0081 0 0.5
Trypanosoma cruzi diacylglycerol kinase, putative 0.0081 0 0.5
Trichomonas vaginalis diacylglycerol kinase, putative 0.0081 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0081 0 0.5
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0081 0 0.5
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0081 0 0.5
Mycobacterium tuberculosis Conserved protein 0.2087 1 1
Plasmodium falciparum diacylglycerol kinase, putative 0.0081 0 0.5
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.0081 0 0.5
Onchocerca volvulus Ceramide kinase 1 homolog 0.0081 0 0.5
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0081 0 0.5
Plasmodium vivax diacylglycerol kinase, putative 0.0081 0 0.5
Schistosoma mansoni sphingosine kinase A B 0.2087 1 1
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0081 0 0.5
Brugia malayi Cytochrome P450 family protein 0.018 0.0491 1
Echinococcus multilocularis sphingosine kinase 1 0.2087 1 1
Entamoeba histolytica hypothetical protein, conserved 0.2087 1 1
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0081 0 0.5
Trichomonas vaginalis sphingosine kinase, putative 0.0081 0 0.5
Trichomonas vaginalis sphingosine kinase, putative 0.0081 0 0.5
Trypanosoma cruzi Sphingosine kinase 0.0081 0 0.5
Plasmodium falciparum diacylglycerol kinase, putative 0.0081 0 0.5
Leishmania major sphingosine kinase A, B, putative 0.0081 0 0.5
Leishmania major hypothetical protein, conserved 0.0081 0 0.5
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.0081 0 0.5
Loa Loa (eye worm) hypothetical protein 0.2087 1 1
Mycobacterium ulcerans hypothetical protein 0.2087 1 1
Onchocerca volvulus 0.0081 0 0.5
Leishmania major diacylglycerol kinase-like protein 0.0081 0 0.5
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0081 0 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 7.5 uM Growth inhibition of human HeLa cells after 48 hrs by SRB assay ChEMBL. 25264072

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.