Detailed information for compound 1056670

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 329.437 | Formula: C19H27N3O2
  • H donors: 0 H acceptors: 1 LogP: 2.8 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1c1occ(n1)CN(C1CCN(CC1)C)C
  • InChi: 1S/C19H27N3O2/c1-4-23-18-8-6-5-7-17(18)19-20-15(14-24-19)13-22(3)16-9-11-21(2)12-10-16/h5-8,14,16H,4,9-13H2,1-3H3
  • InChiKey: SKUHZVWCABICKG-UHFFFAOYSA-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
Plasmodium falciparum glutathione reductase 0.0055 0.2299 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0083 0.411 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0019 0 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.2299 1
Trichomonas vaginalis glutathione reductase, putative 0.0019 0 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0125 0.6806 0.8837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2184 0.2184
Brugia malayi Thioredoxin reductase 0.0055 0.2299 0.5594
Trypanosoma brucei trypanothione reductase 0.0055 0.2299 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0125 0.6806 0.8837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2184 0.2184
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0125 0.6806 0.8837
Leishmania major trypanothione reductase 0.0055 0.2299 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0019 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.2184 0.5314
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0 0.5
Plasmodium falciparum thioredoxin reductase 0.0055 0.2299 1
Toxoplasma gondii thioredoxin reductase 0.0055 0.2299 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0083 0.411 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.3964 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0139 0.7701 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0 0.5
Brugia malayi glutathione reductase 0.0055 0.2299 0.5594
Echinococcus granulosus jun protein 0.0083 0.411 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.2299 0.5594
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.2184 0.5314
Treponema pallidum NADH oxidase 0.0019 0 0.5
Echinococcus multilocularis jun protein 0.0083 0.411 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0019 0 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0125 0.6806 0.8837
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0139 0.7701 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.2184 0.5314
Plasmodium vivax glutathione reductase, putative 0.0055 0.2299 1
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.2299 0.0645
Onchocerca volvulus 0.0065 0.2965 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.2184 0.5314
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2184 0.2184
Brugia malayi bZIP transcription factor family protein 0.0083 0.411 1
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.2299 1
Trichomonas vaginalis mercuric reductase, putative 0.0019 0 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0139 0.7701 1
Brugia malayi hypothetical protein 0.0065 0.2965 0.7216
Schistosoma mansoni jun-related protein 0.0067 0.3112 0.3112
Mycobacterium tuberculosis Probable reductase 0.0125 0.6806 0.8837
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0125 0.6806 0.8837
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.2299 0.2985
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.2299 0.5594
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0139 0.7701 1
Loa Loa (eye worm) glutathione reductase 0.0055 0.2299 0.0645
Schistosoma mansoni hypothetical protein 0.0067 0.3112 0.3112
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.2184 0.5314

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -1 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 ChEMBL. No reference

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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