Detailed information for compound 1646746

Basic information

Technical information
  • TDR Targets ID: 1646746
  • Name: 2-bromo-1-(9-bromophenanthren-3-yl)ethanone
  • MW: 378.058 | Formula: C16H10Br2O
  • H donors: 0 H acceptors: 1 LogP: 5.59 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: BrCC(=O)c1ccc2c(c1)c1ccccc1c(c2)Br
  • InChi: 1S/C16H10Br2O/c17-9-16(19)11-6-5-10-8-15(18)13-4-2-1-3-12(13)14(10)7-11/h1-8H,9H2
  • InChiKey: BDHMAQXMGPVBBE-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-bromo-1-(9-bromo-3-phenanthryl)ethanone
  • 7512-79-0
  • NSC402966
  • NSC44473

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 0.084 0.3644 0.2874
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0444 0.1356 0.0308
Echinococcus multilocularis FTZ F1 alpha 0.084 0.3644 0.2874
Schistosoma mansoni retinoid-x-receptor (RXR) 0.084 0.3644 0.2874
Brugia malayi hypothetical protein 0.0444 0.1356 0.0308
Onchocerca volvulus Bile acid receptor homolog 0.084 0.3644 1
Loa Loa (eye worm) hypothetical protein 0.0444 0.1356 0.0308
Brugia malayi Nuclear hormone receptor family member nhr-41 0.084 0.3644 0.2874
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.084 0.3644 0.2874
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.084 0.3644 0.2874
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.194 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.084 0.3644 0.2874
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0444 0.1356 0.0308
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0444 0.1356 0.0308
Loa Loa (eye worm) hypothetical protein 0.194 1 1
Brugia malayi ecdysteroid receptor 0.084 0.3644 0.2874
Schistosoma mansoni Tr4/Tr2 (homologue) 0.084 0.3644 0.2874
Brugia malayi Nuclear hormone receptor family member nhr-40 0.084 0.3644 0.2874
Brugia malayi steroid hormone receptor 0.084 0.3644 0.2874
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.084 0.3644 0.2874
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.084 0.3644 0.2874
Brugia malayi Nuclear hormone receptor family member nhr-1 0.084 0.3644 0.2874
Echinococcus granulosus retinoic acid receptor rxr beta a 0.084 0.3644 0.2874
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.194 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.084 0.3644 0.2874
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.084 0.3644 0.2874
Loa Loa (eye worm) steroid hormone receptor 0.084 0.3644 0.2874
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.084 0.3644 0.2874
Brugia malayi nuclear receptor NHR-88 0.084 0.3644 0.2874
Schistosoma mansoni RAR-like nuclear receptor 0.084 0.3644 0.2874
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0444 0.1356 0.0308
Brugia malayi Nuclear hormone receptor family member nhr-14 0.084 0.3644 0.2874
Brugia malayi Steroid receptor seven-up type 2 0.084 0.3644 0.2874
Schistosoma mansoni coup transcription factor 0.084 0.3644 0.2874
Schistosoma mansoni retinoic acid receptor RXR 0.084 0.3644 0.2874
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.194 1 1
Schistosoma mansoni pyruvate dehydrogenase 0.1832 0.9377 0.9301
Echinococcus granulosus nuclear receptor 2DBD gamma 0.084 0.3644 0.2874
Loa Loa (eye worm) hypothetical protein 0.0444 0.1356 0.0308
Loa Loa (eye worm) hypothetical protein 0.084 0.3644 0.2874
Loa Loa (eye worm) hypothetical protein 0.084 0.3644 0.2874
Loa Loa (eye worm) hypothetical protein 0.084 0.3644 0.2874
Brugia malayi Nuclear hormone receptor family member nhr-31 0.084 0.3644 0.2874
Brugia malayi Nuclear hormone receptor family member nhr-19 0.084 0.3644 0.2874
Schistosoma mansoni nuclear hormone receptor 0.084 0.3644 0.2874
Brugia malayi photoreceptor-specific nuclear receptor 0.084 0.3644 0.2874
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0786 0.3334 1
Echinococcus multilocularis ecdysone induced protein 78C 0.084 0.3644 0.2874
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.084 0.3644 0.2874
Schistosoma mansoni pyruvate dehydrogenase 0.194 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.084 0.3644 0.2874
Onchocerca volvulus Protein ultraspiracle homolog 0.084 0.3644 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.084 0.3644 0.2874
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.084 0.3644 0.2874
Loa Loa (eye worm) hypothetical protein 0.084 0.3644 0.2874
Echinococcus granulosus FTZ F1 alpha 0.084 0.3644 0.2874
Schistosoma mansoni steroid hormone receptor ad4bp 0.084 0.3644 0.2874
Echinococcus granulosus ecdysone induced protein 78C 0.084 0.3644 0.2874
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.084 0.3644 0.2874
Brugia malayi nuclear hormone receptor 0.084 0.3644 0.2874
Schistosoma mansoni thyroid hormone receptor 0.084 0.3644 0.2874
Loa Loa (eye worm) hypothetical protein 0.0444 0.1356 0.0308
Leishmania major developmentally regulated phosphoprotein-like protein 0.194 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.084 0.3644 0.2874
Brugia malayi Nuclear hormone receptor family member nhr-49 0.084 0.3644 0.2874
Schistosoma mansoni pyruvate dehydrogenase 0.1832 0.9377 0.9301
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.194 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.084 0.3644 0.2874
Onchocerca volvulus 0.084 0.3644 1
Loa Loa (eye worm) hypothetical protein 0.0444 0.1356 0.0308
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0209 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0444 0.1356 0.0308
Schistosoma mansoni thyroid hormone receptor 0.084 0.3644 0.2874
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.084 0.3644 0.2874
Loa Loa (eye worm) hypothetical protein 0.084 0.3644 0.2874
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.084 0.3644 0.2874
Loa Loa (eye worm) hypothetical protein 0.0444 0.1356 0.0308
Brugia malayi Nuclear hormone receptor-like 1 0.0444 0.1356 0.0308
Loa Loa (eye worm) hypothetical protein 0.084 0.3644 0.2874
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.084 0.3644 0.2874
Brugia malayi Nuclear hormone receptor family member nhr-25 0.084 0.3644 0.2874
Trypanosoma brucei developmentally regulated phosphoprotein 0.194 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0444 0.1356 0.0308
Echinococcus granulosus nuclear receptor 2DBD gamma 0.084 0.3644 0.2874
Brugia malayi Nuclear hormone receptor-like 1 0.084 0.3644 0.2874
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.084 0.3644 0.2874
Brugia malayi Nuclear hormone receptor family member nhr-25 0.084 0.3644 0.2874
Loa Loa (eye worm) hypothetical protein 0.084 0.3644 0.2874
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.084 0.3644 0.2874
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.084 0.3644 0.2874
Brugia malayi nuclear receptor RXR 0.0444 0.1356 0.0308
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.084 0.3644 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.084 0.3644 0.2874
Brugia malayi hypothetical protein 0.0444 0.1356 0.0308
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.084 0.3644 0.2874
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.084 0.3644 0.2874
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.084 0.3644 0.2874
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.084 0.3644 0.2874

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.834 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.679 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.679 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.643 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.592 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.587 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.283 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) 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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