Detailed information for compound 331466

Basic information

Technical information
  • TDR Targets ID: 331466
  • Name: 2-(2,3-dihydroimidazo[1,2-f]phenanthridin-4-i um-1-yl)ethanol bromide
  • MW: 345.234 | Formula: C17H17BrN2O
  • H donors: 1 H acceptors: 1 LogP: 2.46 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC[N+]1=c2n(CC1)c1ccccc1c1c2cccc1.[Br-]
  • InChi: 1S/C17H17N2O.BrH/c20-12-11-18-9-10-19-16-8-4-3-6-14(16)13-5-1-2-7-15(13)17(18)19;/h1-8,20H,9-12H2;1H/q+1;/p-1
  • InChiKey: SLMGMASMVIONLO-UHFFFAOYSA-M  


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
Brugia malayi PAS domain containing protein 0.0049 0.0989 0.0989
Echinococcus multilocularis geminin 0.0168 0.949 1
Echinococcus granulosus Protein patched homolog 1 0.0056 0.1486 0.1482
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0063 0.2036 0.5
Echinococcus granulosus geminin 0.0168 0.949 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.2545 0.2609
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.2545 0.2682
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.2545 0.2609
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0135 0.7121 1
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0135 0.7121 0.7479
Loa Loa (eye worm) hypothetical protein 0.0175 1 1
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0135 0.7121 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1137 0.1137
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1137 0.1137
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0056 0.1486 0.1486
Loa Loa (eye worm) hypothetical protein 0.0051 0.1137 0.1137
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0135 0.7121 0.7504
Schistosoma mansoni single-minded 0.0049 0.0989 0.1042
Loa Loa (eye worm) hypoxia-induced factor 1 0.015 0.8209 0.8209
Echinococcus granulosus sterol regulatory element binding protein 0.0056 0.1486 0.1482
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0438 0.0367
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1137 0.1137
Trypanosoma brucei RNA helicase, putative 0.0134 0.7062 0.9871
Echinococcus multilocularis sterol regulatory element binding protein 0.0056 0.1486 0.1482
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0135 0.7121 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.2545 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.1486 0.1486
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0135 0.7121 0.7121
Echinococcus multilocularis protein dispatched 1 0.0056 0.1486 0.1482
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0135 0.7121 0.7479
Schistosoma mansoni hypothetical protein 0.0168 0.949 1
Brugia malayi hypothetical protein 0.0163 0.9104 0.9104
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.2545 0.2545
Echinococcus granulosus Niemann Pick C1 protein 0.0056 0.1486 0.1482
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0063 0.2036 1
Brugia malayi CHE-14 protein 0.0056 0.1486 0.1486
Schistosoma mansoni hypothetical protein 0.0134 0.7062 0.7442
Onchocerca volvulus Bile acid receptor homolog 0.0175 1 1
Schistosoma mansoni hypothetical protein 0.0168 0.949 1
Brugia malayi bHLH-PAS transcription factor 0.0036 0.0093 0.0093
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0063 0.2036 1
Brugia malayi hypoxia-induced factor 1 0.015 0.8209 0.8209
Schistosoma mansoni aryl hydrocarbon receptor 0.0049 0.0989 0.1042
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0135 0.7121 1
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0135 0.7121 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.2545 0.2545
Loa Loa (eye worm) hypothetical protein 0.0163 0.9104 0.9104
Echinococcus multilocularis protein patched 0.0056 0.1486 0.1482
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0063 0.2036 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.7121 0.7121
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0056 0.1486 0.1566
Echinococcus multilocularis Niemann Pick C1 protein 0.0056 0.1486 0.1482
Schistosoma mansoni patched 1 0.0056 0.1486 0.1566
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0438 0.0367

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 11.7 uM In vitro cytotoxicity for human ovarian tumor A2780 cells ChEMBL. 15999988
IC50 (functional) = 11.7 uM In vitro cytotoxicity for human ovarian tumor A2780 cells ChEMBL. 15999988
K (binding) = 20200 1/M Binding affinity towards salmon testes DNA ChEMBL. 15999988

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15999988

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

1 literature reference was collected for this gene.

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