Detailed information for compound 1787706

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 261.361 | Formula: C19H19N
  • H donors: 0 H acceptors: 0 LogP: 4.73 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)/C=C/C1=Nc2c(C1(C)C)cccc2
  • InChi: 1S/C19H19N/c1-14-7-6-8-15(13-14)11-12-18-19(2,3)16-9-4-5-10-17(16)20-18/h4-13H,1-3H3/b12-11+
  • InChiKey: MTNNOTDQHUNHQS-VAWYXSNFSA-N  

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 granulosus lactate dehydrogenase a 0.0418 0.3666 0.3666
Brugia malayi lactate dehydrogenase. 0.0418 0.3666 0.1237
Loa Loa (eye worm) carbonic anhydrase 3 0.0698 1 1
Echinococcus granulosus L lactate dehydrogenase B chain 0.0418 0.3666 0.3666
Echinococcus multilocularis lactate dehydrogenase protein 0.0418 0.3666 0.3666
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0698 1 0.5
Plasmodium vivax malate dehydrogenase, putative 0.0418 0.3666 0.5
Toxoplasma gondii malate dehydrogenase MDH 0.0418 0.3666 1
Echinococcus granulosus carbonic anhydrase 0.0378 0.2772 0.2772
Echinococcus multilocularis carbonic anhydrase 0.0378 0.2772 0.2772
Schistosoma mansoni L-lactate dehydrogenase 0.0418 0.3666 0.1237
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0698 1 1
Echinococcus granulosus carbonic anhydrase 0.0378 0.2772 0.2772
Loa Loa (eye worm) hypothetical protein 0.0418 0.3666 0.1237
Echinococcus granulosus carbonic anhydrase II 0.0698 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0698 1 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0698 1 1
Toxoplasma gondii lactate dehydrogenase LDH1 0.0418 0.3666 1
Echinococcus multilocularis carbonic anhydrase II 0.0698 1 1
Echinococcus multilocularis carbonic anhydrase 0.0378 0.2772 0.2772
Entamoeba histolytica malate dehydrogenase, putative 0.0418 0.3666 0.5
Echinococcus granulosus lactate dehydrogenase a 0.0418 0.3666 0.3666
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0698 1 1
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0418 0.3666 0.5
Echinococcus multilocularis carbonic anhydrase 0.0378 0.2772 0.2772
Echinococcus multilocularis lactate dehydrogenase a 0.0418 0.3666 0.3666
Schistosoma mansoni malate dehydrogenase 0.0418 0.3666 0.1237
Echinococcus granulosus carbonic anhydrase 0.0378 0.2772 0.2772
Leishmania major carbonic anhydrase-like protein 0.0698 1 1
Plasmodium falciparum L-lactate dehydrogenase 0.0418 0.3666 1
Plasmodium vivax lactate dehydrogenase 0.0418 0.3666 0.5
Plasmodium falciparum malate dehydrogenase 0.0418 0.3666 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0698 1 1
Toxoplasma gondii lactate dehydrogenase LDH2 0.0418 0.3666 1
Echinococcus multilocularis lactate dehydrogenase a 0.0418 0.3666 0.3666
Echinococcus multilocularis lactate dehydrogenase a 0.0418 0.3666 0.3666
Trypanosoma brucei carbonic anhydrase-like protein 0.0698 1 0.5
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0418 0.3666 0.3666
Echinococcus granulosus lactate dehydrogenase protein 0.0418 0.3666 0.3666

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 10.22 uM Cytotoxicity against adriamycin-resistant human HepG2 cells assessed as growth inhibition after 72 hrs by MTT assay ChEMBL. 23708010
IC50 (functional) = 20.7 uM Cytotoxicity against human K562 cells assessed as growth inhibition after 72 hrs by MTT assay ChEMBL. 23708010

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23708010

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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