Detailed information for compound 1738284

Basic information

Technical information
  • TDR Targets ID: 1738284
  • Name: diethyl 4-(4-chlorophenyl)-1-[(4-chlorophenyl )methyl]-4H-pyridine-3,5-dicarboxylate
  • MW: 460.35 | Formula: C24H23Cl2NO4
  • H donors: 0 H acceptors: 2 LogP: 5.43 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=CN(Cc2ccc(cc2)Cl)C=C(C1c1ccc(cc1)Cl)C(=O)OCC
  • InChi: 1S/C24H23Cl2NO4/c1-3-30-23(28)20-14-27(13-16-5-9-18(25)10-6-16)15-21(24(29)31-4-2)22(20)17-7-11-19(26)12-8-17/h5-12,14-15,22H,3-4,13H2,1-2H3
  • InChiKey: CYXSFVMKWNXHDG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4H-pyridine-3,5-dicarboxylic acid diethyl ester
  • 1-(4-chlorobenzyl)-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester
  • IVK/2006523

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 PHD-finger family protein 0.0025 0.161 0.1199
Entamoeba histolytica hypothetical protein 0.0025 0.1598 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0467 0.0192
Trypanosoma cruzi target of rapamycin kinase 3 0.0018 0.0467 0.292
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.3456 0.4427
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0018 0.0467 0.0581
Giardia lamblia GTOR 0.0018 0.0467 0.5
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.0467 0.0242
Loa Loa (eye worm) hypothetical protein 0.0041 0.4261 0.4413
Loa Loa (eye worm) hypothetical protein 0.0071 0.9283 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.1214 0.1287
Leishmania major phosphatidylinositol 3-kinase, putative 0.0018 0.0467 0.9876
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0473 0.2957
Schistosoma mansoni zinc finger protein 0.002 0.0717 0.0891
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0467 0.292
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0467 0.0192
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0018 0.0467 0.9876
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0294 0.0366
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.0467 0.292
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.1598 1
Echinococcus multilocularis zinc finger protein 0.002 0.0717 0.0592
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0467 0.0242
Brugia malayi Bromodomain containing protein 0.0038 0.3853 0.3552
Schistosoma mansoni hypothetical protein 0.0021 0.0894 0.1112
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0018 0.0467 0.292
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.3456 0.4427
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0018 0.0467 0.292
Toxoplasma gondii FATC domain-containing protein 0.0025 0.1598 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0018 0.0467 0.292
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0018 0.0467 0.9876
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0018 0.0467 0.9876
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0473 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0025 0.1598 1
Schistosoma mansoni bromodomain containing protein 0.0063 0.8037 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.1598 1
Echinococcus granulosus serine protein kinase ATM 0.0025 0.1598 0.1826
Echinococcus granulosus zinc finger protein 0.002 0.0717 0.0592
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0894 0.0667
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.7437 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.1214 0.1287
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0397 0.0114
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.0467 0.292
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0294 0.0366
Loa Loa (eye worm) hypothetical protein 0.0043 0.4581 0.4769
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0467 0.0242
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0018 0.0467 0.292
Loa Loa (eye worm) hypothetical protein 0.0021 0.1015 0.0803
Loa Loa (eye worm) hypothetical protein 0.0038 0.3864 0.3972
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0018 0.0467 0.292
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0294 0.0366
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.1598 0.1187
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.7437 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0025 0.1598 0.1989
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0294 0.0366
Echinococcus multilocularis serine protein kinase ATM 0.0025 0.1598 0.1826
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.1015 0.6353
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.0467 0.0242
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0018 0.0467 0.9876
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.1214 0.151
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0467 0.292
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0467 0.0581

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 15 % Inhibition of recombinant PDE4B1 (unknown origin) expressed in Sf9 cells at 30 uM pre-incubated with compound for 15 mins before incubation with cAMP substrate for 1 hr ChEMBL. 23294698

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.

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