Detailed information for compound 132607

Basic information

Technical information
  • TDR Targets ID: 132607
  • Name: 6-[(E)-C-(5,5,8,8-tetramethyl-6,7-dihydronaph thalen-2-yl)carbonohydrazonoyl]naphthalene-2- carboxylic acid
  • MW: 400.513 | Formula: C26H28N2O2
  • H donors: 2 H acceptors: 2 LogP: 7.1 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N/N=C(\c1ccc2c(c1)ccc(c2)C(=O)O)/c1ccc2c(c1)C(C)(C)CCC2(C)C
  • InChi: 1S/C26H28N2O2/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(28-27)18-7-5-17-14-20(24(29)30)8-6-16(17)13-18/h5-10,13-15H,11-12,27H2,1-4H3,(H,29,30)/b28-23+
  • InChiKey: BZKPZJRFQBJMJF-WEMUOSSPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-[(E)-(1,1,4,4-tetramethyltetralin-6-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid
  • 6-[(E)-hydrazono-(1,1,4,4-tetramethyl-6-tetralinyl)methyl]-2-naphthalenecarboxylic acid
  • 6-[(E)-(1,1,4,4-tetramethyltetralin-6-yl)carbohydrazonoyl]-2-naphthoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens retinoic acid receptor, alpha Starlite/ChEMBL References
Homo sapiens retinoic acid receptor, beta Starlite/ChEMBL References
Homo sapiens retinoic acid receptor, gamma Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi nuclear hormone receptor Get druggable targets OG5_131607 All targets in OG5_131607
Loa Loa (eye worm) nuclear receptor nhr-7B Get druggable targets OG5_131607 All targets in OG5_131607
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog Get druggable targets OG5_131607 All targets in OG5_131607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131607 All targets in OG5_131607
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
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0037 0.022 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0037 0.022 0.0225
Mycobacterium tuberculosis Probable oxidoreductase 0.0293 0.3481 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0037 0.022 0.0225
Brugia malayi ecdysteroid receptor 0.0037 0.022 0.0225
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.022 1
Echinococcus multilocularis FTZ F1 alpha 0.0037 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.022 0.0225
Loa Loa (eye worm) hypothetical protein 0.0037 0.022 0.0225
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0037 0.022 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0037 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.022 0.0225
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0037 0.022 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0037 0.022 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0037 0.022 1
Brugia malayi nuclear receptor NHR-88 0.0037 0.022 0.0225
Brugia malayi photoreceptor-specific nuclear receptor 0.0037 0.022 0.0225
Echinococcus granulosus FTZ F1 alpha 0.0037 0.022 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0037 0.022 0.0225
Loa Loa (eye worm) hypothetical protein 0.0037 0.022 0.0225
Schistosoma mansoni nuclear hormone receptor 0.0037 0.022 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0037 0.022 1
Mycobacterium ulcerans short chain dehydrogenase 0.0293 0.3481 0.5
Brugia malayi nuclear hormone receptor 0.0037 0.022 0.0225
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0037 0.022 0.0225
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.022 1
Schistosoma mansoni RAR-like nuclear receptor 0.0037 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.022 0.0225
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0037 0.022 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0037 0.022 0.0225
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0037 0.022 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0037 0.022 0.0225
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0037 0.022 0.0225
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0037 0.022 0.0225
Loa Loa (eye worm) hypothetical protein 0.0037 0.022 0.0225
Schistosoma mansoni thyroid hormone receptor 0.0037 0.022 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0037 0.022 0.0225
Loa Loa (eye worm) hypothetical protein 0.0037 0.022 0.0225
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0037 0.022 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0787 0.9754 1
Loa Loa (eye worm) hypothetical protein 0.0769 0.9534 0.9775
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0037 0.022 0.0225
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0037 0.022 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0037 0.022 0.0225
Loa Loa (eye worm) steroid hormone receptor 0.0037 0.022 0.0225
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0037 0.022 1
Schistosoma mansoni retinoic acid receptor RXR 0.0037 0.022 1
Brugia malayi Nuclear hormone receptor-like 1 0.0037 0.022 0.0225
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0037 0.022 0.0225
Schistosoma mansoni coup transcription factor 0.0037 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.022 0.0225
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0037 0.022 0.0225
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.022 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0037 0.022 0.0225
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0037 0.022 0.0225
Echinococcus granulosus ecdysone induced protein 78C 0.0037 0.022 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0037 0.022 0.0225
Echinococcus multilocularis ecdysone induced protein 78C 0.0037 0.022 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0037 0.022 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0037 0.022 0.0225
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0037 0.022 1
Brugia malayi Steroid receptor seven-up type 2 0.0037 0.022 0.0225
Brugia malayi nuclear hormone receptor 0.0787 0.9754 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0037 0.022 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0037 0.022 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0037 0.022 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0037 0.022 0.0225
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0037 0.022 0.0225
Brugia malayi steroid hormone receptor 0.0037 0.022 0.0225
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0037 0.022 0.0225
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.022 1
Schistosoma mansoni thyroid hormone receptor 0.0037 0.022 1

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) = 43 nM Apparent binding constant for Retinoic acid receptor beta in HeLa cellGAL-4 transactivation assay ChEMBL. 8691435
Kd (binding) = 43 nM Apparent binding constant for Retinoic acid receptor beta in HeLa cellGAL-4 transactivation assay ChEMBL. 8691435
Kd (binding) = 95 nM Apparent binding constant against Retinoic acid receptor gamma in HeLa cell GAl-4 transactivation assay ChEMBL. 8691435
Kd (binding) = 95 nM Apparent binding constant against Retinoic acid receptor gamma in HeLa cell GAl-4 transactivation assay ChEMBL. 8691435
Kd (binding) = 2200 nM Apparent binding constant against Retinoic acid receptor alpha in HeLa cell GAl-4 transactivation assay ChEMBL. 8691435
Kd (binding) = 2200 nM Apparent binding constant against Retinoic acid receptor alpha in HeLa cell GAl-4 transactivation assay ChEMBL. 8691435

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.