Detailed information for compound 2070984

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 326.393 | Formula: C18H22N4O2
  • H donors: 0 H acceptors: 3 LogP: 2.66 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(C)nc(n1)N1CCN(CC1)C(=O)c1ccccc1C
  • InChi: 1S/C18H22N4O2/c1-13-6-4-5-7-15(13)17(23)21-8-10-22(11-9-21)18-19-14(2)12-16(20-18)24-3/h4-7,12H,8-11H2,1-3H3
  • InChiKey: LMRMEVIVCLSMSY-UHFFFAOYSA-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
Loa Loa (eye worm) hypothetical protein 0.0796 1 1
Trypanosoma cruzi squalene monooxygenase, putative 0.0201 0.2021 0.193
Trypanosoma brucei squalene monooxygenase, putative 0.0201 0.2021 0.0444
Echinococcus multilocularis thymidylate synthase 0.0123 0.0977 0.0977
Echinococcus granulosus Niemann Pick C1 protein 0.0328 0.3721 0.3721
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0796 1 1
Brugia malayi thymidylate synthase 0.0123 0.0977 0.0977
Echinococcus multilocularis protein dispatched 1 0.0328 0.3721 0.3721
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0173 0.165 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0328 0.3721 0.8548
Brugia malayi CHE-14 protein 0.0328 0.3721 0.3721
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0796 1 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0328 0.3721 0.3721
Loa Loa (eye worm) thymidylate synthase 0.0123 0.0977 0.0977
Trypanosoma cruzi squalene monooxygenase, putative 0.0201 0.2021 0.193
Schistosoma mansoni patched 1 0.0328 0.3721 0.3721
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0374 0.4334 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0123 0.0977 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0374 0.4334 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0173 0.165 0.1555
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0328 0.3721 0.3721
Leishmania major squalene monooxygenase-like protein 0.0201 0.2021 0.0444
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0328 0.3721 0.3721
Chlamydia trachomatis dihydrofolate reductase 0.005 0 0.5
Mycobacterium ulcerans thymidylate synthase 0.0123 0.0977 0.0977
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0123 0.0977 1
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0374 0.4334 0.5
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0123 0.0977 0.0977
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0173 0.165 0.5
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0796 1 1
Echinococcus granulosus Protein patched homolog 1 0.0328 0.3721 0.3721
Onchocerca volvulus 0.0123 0.0977 0.5
Mycobacterium tuberculosis Hypothetical protein 0.0059 0.0112 0.1148
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0374 0.4334 1
Brugia malayi hypothetical protein 0.0059 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0328 0.3721 0.3721
Echinococcus multilocularis protein patched 0.0328 0.3721 0.3721
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0796 1 1
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0796 1 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0328 0.3721 0.3721
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0796 1 1
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0796 1 1
Echinococcus granulosus thymidylate synthase 0.0123 0.0977 0.0977
Echinococcus granulosus sterol regulatory element binding protein 0.0328 0.3721 0.3721
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0796 1 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0173 0.165 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.
 
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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