Detailed information for compound 653675

Basic information

Technical information
  • TDR Targets ID: 653675
  • Name: 5-(4-fluorophenyl)-2,2-dimethyl-1,3,5,6-tetra hydrobenzo[a]phenanthridin-4-one
  • MW: 371.447 | Formula: C25H22FNO
  • H donors: 1 H acceptors: 1 LogP: 5.52 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3
  • InChi: 1S/C25H22FNO/c1-25(2)13-19-22-18-6-4-3-5-15(18)9-12-20(22)27-24(23(19)21(28)14-25)16-7-10-17(26)11-8-16/h3-12,24,27H,13-14H2,1-2H3
  • InChiKey: KJWBQFOAUCFWKJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Oprea1_806933
  • Oprea1_576504
  • 5-(4-Fluorophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
  • Benzo[a]phenanthridin-4(3H)-one, 1,2,5,6-tetrahydro-2,2-dimethyl-5-(4-fluorophenyl)-
  • BAS 00442777
  • A1398/0062506

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
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.0196 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0055 0.0613 0.0613
Loa Loa (eye worm) MBCTL1 0.0063 0.0869 0.1885
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0075 0.1271 0.2102
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0166 0.4336 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0696 0.147
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.0196 0.0324
Echinococcus granulosus histone acetyltransferase MYST2 0.0063 0.0869 0.1436
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0166 0.4336 0.717
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0196 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.1271 0.2854
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0196 0.5
Brugia malayi Inositol-1 0.0043 0.0196 0.0452
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0055 0.0613 0.5
Echinococcus granulosus geminin 0.0195 0.533 0.8814
Schistosoma mansoni hypothetical protein 0.0039 0.0085 0.0085
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0166 0.4336 0.717
Loa Loa (eye worm) inositol-1 0.0043 0.0196 0.0266
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0216 0.6048 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0696 0.147
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0075 0.1271 0.2854
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0196 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.1271 0.2854
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0166 0.4336 0.4336
Brugia malayi mbt repeat family protein 0.0055 0.0613 0.1413
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0085 0.0196
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0196 0.5
Echinococcus multilocularis SAM and MBT domain containing protein 0.0055 0.0613 0.1013
Echinococcus multilocularis geminin 0.0195 0.533 0.8814
Brugia malayi mbt repeat family protein 0.0055 0.0613 0.1413
Schistosoma mansoni hypothetical protein 0.0195 0.533 0.533
Loa Loa (eye worm) hypothetical protein 0.0063 0.0869 0.1885
Echinococcus multilocularis polycomb protein SCMH1 0.0055 0.0613 0.1013
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0696 0.1606
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.0196 0.0324
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0696 0.1606
Trichomonas vaginalis inositol monophosphatase, putative 0.0043 0.0196 0.5
Echinococcus granulosus SAM and MBT domain containing protein 0.0055 0.0613 0.1013
Brugia malayi MH2 domain containing protein 0.0138 0.339 0.7819
Echinococcus multilocularis histone acetyltransferase MYST2 0.0063 0.0869 0.1436
Loa Loa (eye worm) hypothetical protein 0.0055 0.0613 0.127
Schistosoma mansoni inositol monophosphatase 0.0043 0.0196 0.0196
Onchocerca volvulus 0.0055 0.0613 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.339 0.7951
Schistosoma mansoni hypothetical protein 0.0195 0.533 0.533
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0196 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0613 0.0613
Schistosoma mansoni inositol monophosphatase 0.0043 0.0196 0.0196
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0038 0.0046 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.339 0.7951
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.0196 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0075 0.1271 0.2102
Loa Loa (eye worm) voltage-gated potassium channel 0.0163 0.4242 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0063 0.0869 0.2003
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0196 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0038 0.0046 0.5
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0063 0.0869 0.1436
Schistosoma mansoni myelin transcription factor 1 myt1 0.0063 0.0869 0.0869
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0613 0.0613
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0063 0.0869 0.1436
Echinococcus granulosus polycomb protein SCMH1 0.0055 0.0613 0.1013
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0.0196 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0216 0.6048 1
Loa Loa (eye worm) mbt repeat family protein 0.0055 0.0613 0.127
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.0196 1

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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