Detailed information for compound 1235756

Basic information

Technical information
  • TDR Targets ID: 1235756
  • Name: 6-(3-hydroxyphenyl)-9-(4-methoxyphenyl)-5,6,8 ,9,10,11-hexahydrobenzo[c][1,5]benzodiazepin- 7-one
  • MW: 412.48 | Formula: C26H24N2O3
  • H donors: 3 H acceptors: 2 LogP: 4.42 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccc(c1)O
  • InChi: 1S/C26H24N2O3/c1-31-20-11-9-16(10-12-20)18-14-23-25(24(30)15-18)26(17-5-4-6-19(29)13-17)28-22-8-3-2-7-21(22)27-23/h2-13,18,26-29H,14-15H2,1H3
  • InChiKey: FBVBSCDJBMBVBG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ST5012347
  • BIM-0042387.P001
  • Oprea1_133138
  • BAS 02169963
  • Oprea1_836573
  • AK-968/15361185
  • CBMicro_042500
  • EU-0038299

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
Echinococcus granulosus thyroid hormone receptor alpha 0.0057 0.4018 0.4018
Brugia malayi Cytochrome P450 family protein 0.0025 0.1039 0.1039
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.4018 0.4018
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0121 1 1
Schistosoma mansoni coup transcription factor 0.0121 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0015 0.0107 0.5
Schistosoma mansoni nuclear receptor nhr-48 0.0057 0.4018 0.4018
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0107 0.0107
Echinococcus granulosus ecdysone induced protein 78C 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0057 0.4018 0.4018
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Trypanosoma brucei cytochrome P450, putative 0.0015 0.0107 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0021 0.0614 0.0614
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Brugia malayi hypothetical protein 0.0064 0.4659 0.4659
Echinococcus granulosus FTZ F1 alpha 0.0121 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0057 0.4018 0.4018
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0121 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0057 0.4018 0.4018
Loa Loa (eye worm) hypothetical protein 0.0057 0.4018 0.4018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0121 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0614 0.0614
Schistosoma mansoni nuclear hormone receptor 0.0057 0.4018 0.4018
Loa Loa (eye worm) nuclear hormone receptor 0.0057 0.4018 0.4018
Loa Loa (eye worm) hypothetical protein 0.0057 0.4018 0.4018
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0064 0.4659 0.4659
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.4018 0.4018
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0107 0.5
Schistosoma mansoni nuclear receptor 0.0057 0.4018 0.4018
Loa Loa (eye worm) nuclear receptor NHR-67 0.0057 0.4018 0.4018
Brugia malayi Nuclear hormone receptor-like 1 0.0121 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0614 0.0614
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0121 1 1
Brugia malayi nuclear receptor RXR 0.0064 0.4659 0.4659
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0072 0.5364 0.5364
Schistosoma mansoni RAR-like nuclear receptor 0.0121 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.4659 0.4659
Brugia malayi ecdysone receptor 0.0057 0.4018 0.4018
Echinococcus multilocularis thyroid hormone receptor alpha 0.0121 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0121 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.4018 0.4018
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0057 0.4018 0.4018
Brugia malayi Nuclear hormone receptor E75 0.0057 0.4018 0.4018
Brugia malayi nuclear receptor NHR-67 0.0057 0.4018 0.4018
Loa Loa (eye worm) hypothetical protein 0.0064 0.4659 0.4659
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0121 1 1
Echinococcus multilocularis voltage gated potassium channel 0.0021 0.0614 0.0614
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0121 1 1
Brugia malayi hypothetical protein 0.0064 0.4659 0.4659
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 0.4018 0.4018
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0057 0.4018 0.4018
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0121 1 1
Leishmania major cytochrome p450-like protein 0.0015 0.0107 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.0057 0.4018 0.4018
Schistosoma mansoni voltage-gated potassium channel 0.0078 0.5978 0.5978
Schistosoma mansoni voltage-gated potassium channel 0.0078 0.5978 0.5978
Brugia malayi conserved hypotetical protein 0.0057 0.4018 0.4018
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0121 1 1
Brugia malayi nuclear receptor NHR-88 0.0121 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0067 0.4924 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.4659 0.4659
Loa Loa (eye worm) hypothetical protein 0.0064 0.4659 0.4659
Loa Loa (eye worm) hypothetical protein 0.0057 0.4018 0.4018
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0121 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0107 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.4659 0.4659
Schistosoma mansoni thyroid hormone receptor 0.0121 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0057 0.4018 0.4018
Brugia malayi Nuclear hormone receptor E75 0.0057 0.4018 0.4018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0121 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.1039 0.1039
Schistosoma mansoni nuclear receptor 0.0057 0.4018 0.4018
Echinococcus granulosus nuclear receptor nhr 48 0.0057 0.4018 0.4018
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0121 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0121 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0021 0.0614 0.0614
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0121 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0121 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0121 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0064 0.4659 0.4659
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0121 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0121 1 1
Schistosoma mansoni nuclear hormone receptor 0.0057 0.4018 0.4018
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0121 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0121 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0121 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0064 0.4659 0.4659
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0064 0.4659 0.4659
Loa Loa (eye worm) hypothetical protein 0.0062 0.4481 0.4481
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0121 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0121 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0057 0.4018 0.4018
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0021 0.0614 0.0614
Brugia malayi photoreceptor-specific nuclear receptor 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0121 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0121 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0121 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0121 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0121 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0121 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0067 0.4924 1
Brugia malayi nuclear receptor NHR-88 0.0057 0.4018 0.4018
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0064 0.4659 0.4659
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0072 0.5364 0.5364
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0072 0.5364 0.5364
Brugia malayi hypothetical protein 0.0057 0.4018 0.4018
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Brugia malayi nuclear hormone receptor 0.0121 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0057 0.4018 0.4018
Echinococcus granulosus Nuclear hormone receptor HR96 0.0057 0.4018 0.4018
Brugia malayi Cytochrome P450 family protein 0.0015 0.0107 0.0107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0121 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0064 0.4659 0.4659
Loa Loa (eye worm) DR-78 0.0057 0.4018 0.4018
Echinococcus multilocularis FTZ F1 alpha 0.0121 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0614 0.0614
Brugia malayi nuclear hormone receptor family member odr-7 0.0057 0.4018 0.4018
Loa Loa (eye worm) hypothetical protein 0.0057 0.4018 0.4018
Brugia malayi hypothetical protein 0.0057 0.4018 0.4018
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0121 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0121 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0107 0.0107
Onchocerca volvulus Protein ultraspiracle homolog 0.0121 1 1
Schistosoma mansoni zinc finger protein 0.0057 0.4018 0.4018
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0057 0.4018 0.4018
Onchocerca volvulus 0.0121 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0072 0.5364 0.5364
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0121 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0121 1 1
Schistosoma mansoni nuclear hormone receptor 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.4018 0.4018
Schistosoma mansoni thyroid hormone receptor 0.0121 1 1
Brugia malayi steroid hormone receptor 0.0121 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0057 0.4018 0.4018
Brugia malayi nuclear hormone receptor 0.0057 0.4018 0.4018
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0121 1 1
Brugia malayi tailless protein 0.0057 0.4018 0.4018
Loa Loa (eye worm) hypothetical protein 0.0057 0.4018 0.4018
Brugia malayi Cytochrome P450 family protein 0.0015 0.0107 0.0107
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0121 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0121 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0121 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.4018 0.4018
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0057 0.4018 0.4018
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0121 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0057 0.4018 0.4018
Brugia malayi Nuclear hormone receptor-like 1 0.0064 0.4659 0.4659
Schistosoma mansoni steroid hormone receptor ad4bp 0.0121 1 1
Brugia malayi nuclear receptor RXR 0.0057 0.4018 0.4018
Loa Loa (eye worm) hypothetical protein 0.0057 0.4018 0.4018
Loa Loa (eye worm) hypothetical protein 0.0057 0.4018 0.4018
Loa Loa (eye worm) hypothetical protein 0.0057 0.4018 0.4018
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Echinococcus granulosus voltage gated potassium channel 0.0021 0.0614 0.0614
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 0.4018 0.4018
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0121 1 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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