Detailed information for compound 891984

Basic information

Technical information
  • TDR Targets ID: 891984
  • Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-( 3,4-dimethylphenyl)benzamide
  • MW: 370.487 | Formula: C25H26N2O
  • H donors: 1 H acceptors: 1 LogP: 4.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)CN1CCc2c(C1)cccc2)Nc1ccc(c(c1)C)C
  • InChi: 1S/C25H26N2O/c1-18-7-12-24(15-19(18)2)26-25(28)22-10-8-20(9-11-22)16-27-14-13-21-5-3-4-6-23(21)17-27/h3-12,15H,13-14,16-17H2,1-2H3,(H,26,28)
  • InChiKey: ZRVIGLCGGWQTGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(3,4-dimethyl-phenyl)-benzamide
  • BAS 00794519
  • Oprea1_098552

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 nuclear hormone receptor family member nhr-6 0.0085 0.3489 0.3251
Schistosoma mansoni thyroid hormone receptor 0.018 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.018 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.018 1 1
Schistosoma mansoni nuclear receptor 0.0085 0.3489 0.3074
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0085 0.3489 0.3251
Loa Loa (eye worm) hypothetical protein 0.0085 0.3489 0.3489
Brugia malayi Nuclear hormone receptor E75 0.0085 0.3489 0.3251
Brugia malayi Steroid receptor seven-up type 2 0.018 1 1
Brugia malayi Nuclear hormone receptor E75 0.0085 0.3489 0.3251
Brugia malayi orphan nuclear receptor NR2E1 0.0085 0.3489 0.3251
Loa Loa (eye worm) hypothetical protein 0.0085 0.3489 0.3489
Brugia malayi Nuclear hormone receptor family member nhr-41 0.018 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0085 0.3489 0.3251
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.3489 0.3489
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Brugia malayi nuclear receptor RXR 0.0085 0.3489 0.3251
Loa Loa (eye worm) hypothetical protein 0.0085 0.3489 0.3489
Brugia malayi Nuclear hormone receptor family member nhr-25 0.018 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0085 0.3489 0.3251
Schistosoma mansoni retinoic acid receptor RXR 0.018 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.018 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.018 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.018 1 1
Brugia malayi hypothetical protein 0.0085 0.3489 0.3251
Brugia malayi Nuclear hormone receptor family member nhr-49 0.018 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0095 0.4187 0.3973
Onchocerca volvulus 0.018 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0085 0.3489 0.3489
Schistosoma mansoni coup transcription factor 0.018 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0085 0.3489 0.3251
Brugia malayi Nuclear hormone receptor family member nhr-14 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0037 0.0177 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.0354 0.0354
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0085 0.3489 0.3251
Loa Loa (eye worm) hypothetical protein 0.0085 0.3489 0.3489
Echinococcus multilocularis ecdysone induced protein 78C 0.018 1 1
Brugia malayi nuclear receptor RXR 0.0095 0.4187 0.3973
Brugia malayi nuclear receptor NHR-88 0.018 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.018 1 1
Echinococcus multilocularis FTZ F1 alpha 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.3489 0.3489
Echinococcus granulosus thyroid hormone receptor alpha 0.0085 0.3489 0.3251
Echinococcus multilocularis nuclear receptor nhr 48 0.0085 0.3489 0.3251
Loa Loa (eye worm) hypothetical protein 0.0095 0.4187 0.4187
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0095 0.4187 0.3973
Brugia malayi hypothetical protein 0.0095 0.4187 0.3973
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0085 0.3489 0.3074
Schistosoma mansoni retinoid-x-receptor (RXR) 0.018 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.018 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.018 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.018 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.018 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.018 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.018 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.018 1 1
Brugia malayi steroid hormone receptor 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.3489 0.3489
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0095 0.4187 0.3973
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0085 0.3489 0.3251
Loa Loa (eye worm) hypothetical protein 0.0085 0.3489 0.3489
Schistosoma mansoni Tr4/Tr2 (homologue) 0.018 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.018 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.018 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0085 0.3489 0.3074
Brugia malayi Nuclear hormone receptor family member nhr-25 0.018 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.018 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.3489 0.3489
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.018 1 1
Echinococcus granulosus FTZ F1 alpha 0.018 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.018 1 1
Brugia malayi nuclear receptor NHR-67 0.0085 0.3489 0.3251
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.018 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.018 1 1
Brugia malayi hypothetical protein 0.0095 0.4187 0.3973
Loa Loa (eye worm) cytochrome P450 family protein 0.005 0.1107 0.1107
Brugia malayi conserved hypotetical protein 0.0085 0.3489 0.3251
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Schistosoma mansoni zinc finger protein 0.0085 0.3489 0.3074
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.4187 0.4187
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0095 0.4187 0.4187
Brugia malayi Cytochrome P450 family protein 0.005 0.1107 0.0781
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.018 1 1
Schistosoma mansoni nuclear hormone receptor 0.0085 0.3489 0.3074
Brugia malayi photoreceptor-specific nuclear receptor 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.4187 0.4187
Loa Loa (eye worm) nuclear hormone receptor 0.0085 0.3489 0.3489
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0095 0.4187 0.3816
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0095 0.4187 0.3816
Loa Loa (eye worm) hypothetical protein 0.0085 0.3489 0.3489
Loa Loa (eye worm) nuclear receptor NHR-67 0.0085 0.3489 0.3489
Brugia malayi nuclear hormone receptor 0.0085 0.3489 0.3251
Brugia malayi Nuclear hormone receptor family member nhr-19 0.018 1 1
Loa Loa (eye worm) DR-78 0.0085 0.3489 0.3489
Brugia malayi Nuclear hormone receptor family member nhr-31 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.3489 0.3489
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.018 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.018 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0085 0.3489 0.3251
Brugia malayi ecdysone receptor 0.0085 0.3489 0.3251
Brugia malayi nuclear hormone receptor 0.018 1 1
Schistosoma mansoni thyroid hormone receptor 0.018 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0085 0.3489 0.3251
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.018 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.4187 0.4187
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.018 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0085 0.3489 0.3251
Brugia malayi Nuclear hormone receptor-like 1 0.0095 0.4187 0.3973
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.018 1 1
Schistosoma mansoni nuclear receptor 0.0085 0.3489 0.3074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.018 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0085 0.3489 0.3251
Brugia malayi nuclear receptor NHR-88 0.0085 0.3489 0.3251
Schistosoma mansoni nuclear hormone receptor 0.0085 0.3489 0.3074
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0085 0.3489 0.3251
Loa Loa (eye worm) hypothetical protein 0.0085 0.3489 0.3489
Brugia malayi tailless protein 0.0085 0.3489 0.3251
Onchocerca volvulus Bile acid receptor homolog 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.3489 0.3489
Echinococcus granulosus nuclear receptor 2DBD gamma 0.018 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Loa Loa (eye worm) steroid hormone receptor 0.018 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.4187 0.4187
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Schistosoma mansoni nuclear hormone receptor 0.018 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.018 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0085 0.3489 0.3251
Brugia malayi hypothetical protein 0.0085 0.3489 0.3251
Brugia malayi Nuclear hormone receptor-like 1 0.018 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0085 0.3489 0.3074
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0037 0.0177 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.018 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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