Detailed information for compound 1802404

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 296.407 | Formula: C19H24N2O
  • H donors: 2 H acceptors: 1 LogP: 4.7 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCc1ccc(cc1)NC(=O)N[C@@H](c1ccccc1)C
  • InChi: 1S/C19H24N2O/c1-3-4-8-16-11-13-18(14-12-16)21-19(22)20-15(2)17-9-6-5-7-10-17/h5-7,9-15H,3-4,8H2,1-2H3,(H2,20,21,22)/t15-/m1/s1
  • InChiKey: HKUNJTBJJUODDZ-OAHLLOKOSA-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
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.0243 0.3091 0.5767
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0386 0.5069 0.5069
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0168 0.2046 0.2046
Echinococcus granulosus intermediate filament protein 0.0029 0.0111 0.0111
Trichomonas vaginalis proteasome-activating nucleotidase, putative 0.0096 0.1045 0.195
Toxoplasma gondii cell division protein CDC48AP 0.0243 0.3091 0.5767
Echinococcus granulosus lamin 0.0029 0.0111 0.0111
Echinococcus multilocularis musashi 0.0029 0.0111 0.0111
Echinococcus multilocularis lamin 0.0029 0.0111 0.0111
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0386 0.5069 1
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0386 0.5069 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0168 0.2046 0.2046
Mycobacterium tuberculosis Putative conserved ATPase 0.0243 0.3091 0.5
Echinococcus multilocularis lamin dm0 0.0029 0.0111 0.0111
Brugia malayi vesicle-fusing ATPase 0.0239 0.3023 1
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0407 0.536 1
Trypanosoma cruzi Valosin-containing protein, putative 0.0386 0.5069 1
Brugia malayi intermediate filament protein 0.0029 0.0111 0.0368
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.0168 0.2046 0.6768
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0386 0.5069 1
Entamoeba histolytica cdc48-like protein, putative 0.0386 0.5069 1
Trypanosoma brucei Valosin-containing protein 0.0386 0.5069 1
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0407 0.536 0.536
Echinococcus multilocularis microtubule associated protein 2 0.0741 1 1
Toxoplasma gondii cell division protein CDC48CY 0.0407 0.536 1
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0407 0.536 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0407 0.536 0.536
Schistosoma mansoni lamin 0.0029 0.0111 0.0111
Loa Loa (eye worm) vesicle-fusing ATPase 0.0239 0.3023 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0111 0.0368
Loa Loa (eye worm) VCP protein 0.0168 0.2046 0.6768
Brugia malayi valosin containing protein 0.0239 0.3023 1
Echinococcus granulosus lamin dm0 0.0029 0.0111 0.0111
Giardia lamblia AAA family ATPase 0.0243 0.3091 1
Schistosoma mansoni intermediate filament proteins 0.0029 0.0111 0.0111
Trichomonas vaginalis 26S protease regulatory subunit S10b, putative 0.0096 0.1045 0.195
Schistosoma mansoni microtubule-associated protein tau 0.0741 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0111 0.0368
Loa Loa (eye worm) hypothetical protein 0.0239 0.3023 1
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.0386 0.5069 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0104 0.0344
Mycobacterium ulcerans ATPase 0.0243 0.3091 0.5
Schistosoma mansoni lamin 0.0029 0.0111 0.0111
Echinococcus granulosus transitional endoplasmic reticulum atpase 0.0407 0.536 0.536
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0111 0.0368
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0111 0.0368

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 10 % Phytotoxicity against directly seeded Oryza sativa (rice) seedlings assessed as phytotoxic activity ratings (0- no effect to 5-complete killing rating scale) at 100 g/a measured after 3 weeks post compound treatment under green house conditions ChEMBL. 27393589
Activity (functional) = 38 % Relieving activity against bensulfuron-methyl induced injury to Oryza sativa (rice) assessed as growth rate at 1 uM (Rbv = 46 to 53%) ChEMBL. 27393060

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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