Detailed information for compound 154310

Basic information

Technical information
  • TDR Targets ID: 154310
  • Name: N-(3,5-dichloropyridin-4-yl)-7-methoxy-2-(met hoxymethyl)-1H-benzimidazole-4-carboxamide
  • MW: 381.213 | Formula: C16H14Cl2N4O3
  • H donors: 2 H acceptors: 3 LogP: 2.17 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCc1nc2c([nH]1)c(ccc2OC)C(=O)Nc1c(Cl)cncc1Cl
  • InChi: 1S/C16H14Cl2N4O3/c1-24-7-12-20-13-8(3-4-11(25-2)15(13)21-12)16(23)22-14-9(17)5-19-6-10(14)18/h3-6H,7H2,1-2H3,(H,20,21)(H,19,22,23)
  • InChiKey: APZGHLKUAICCAJ-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(3,5-dichloro-4-pyridyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphodiesterase 4B, cAMP-specific References
Homo sapiens phosphodiesterase 4D, cAMP-specific Starlite/ChEMBL References
Homo sapiens phosphodiesterase 4C, cAMP-specific References
Homo sapiens phosphodiesterase 4A, cAMP-specific References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative Get druggable targets OG5_128242 All targets in OG5_128242
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Neospora caninum cAMP-specific phosphodiesterase, putative Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium parvum membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242

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 Carboxylesterase family protein 0.1708 1 1
Loa Loa (eye worm) hypothetical protein 0.1708 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.1708 1 1
Loa Loa (eye worm) hypothetical protein 0.1708 1 1
Echinococcus multilocularis acetylcholinesterase 0.1708 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0447 0.0413 0.0413
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0447 0.0413 0.0413
Echinococcus multilocularis carboxylesterase 5A 0.1708 1 1
Loa Loa (eye worm) hypothetical protein 0.0447 0.0413 0.0413
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0447 0.0413 0.0413
Echinococcus granulosus acetylcholinesterase 0.1708 1 1
Loa Loa (eye worm) carboxylesterase 0.1708 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1708 1 1
Echinococcus multilocularis acetylcholinesterase 0.1708 1 1
Echinococcus granulosus carboxylesterase 5A 0.1708 1 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0447 0.0413 0.5
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0447 0.0413 0.0413
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0447 0.0413 0.5
Echinococcus granulosus acetylcholinesterase 0.1708 1 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 2 mg kg-1 Inhibition of lipopolysaccharide(LPS) stimulated TNF-alpha release in mice after peroral dose ChEMBL. 9873613
ED50 (functional) = 2 mg kg-1 Inhibition of lipopolysaccharide(LPS) stimulated TNF-alpha release in mice after peroral dose ChEMBL. 9873613
ED50 (functional) = 10 mg kg-1 Inhibition of streptococcal cell wall(SCW) induced arthritis in rat ChEMBL. 9873613
F (ADMET) = 35 % Bioavailability in mouse ChEMBL. 9873613
F (ADMET) = 35 % Bioavailability in mouse ChEMBL. 9873613
F (ADMET) = 35 % Oral bioavailability in mouse ChEMBL. 18686943
IC50 (binding) = 42 nM Inhibition of PDE4 from guinea pig macrophages ChEMBL. 9873613
IC50 (binding) = 42 nM Inhibition of PDE4 from guinea pig macrophages ChEMBL. 9873613
Ki (binding) = 25 nM Inhibition of Rolipram binding to PDE4 ChEMBL. 9873613

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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