Detailed information for compound 68989

Basic information

Technical information
  • TDR Targets ID: 68989
  • Name: N-(2-cyanophenyl)-3-cyclopentyloxy-4-methoxyb enzamide
  • MW: 336.384 | Formula: C20H20N2O3
  • H donors: 1 H acceptors: 2 LogP: 4.24 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC1CCCC1)C(=O)Nc1ccccc1C#N
  • InChi: 1S/C20H20N2O3/c1-24-18-11-10-14(12-19(18)25-16-7-3-4-8-16)20(23)22-17-9-5-2-6-15(17)13-21/h2,5-6,9-12,16H,3-4,7-8H2,1H3,(H,22,23)
  • InChiKey: XNDAPYQQDHXWER-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-cyanophenyl)-3-(cyclopentoxy)-4-methoxy-benzamide
  • N-(2-cyanophenyl)-3-(cyclopentoxy)-4-methoxybenzamide
  • N-(2-cyanophenyl)-3-cyclopentyloxy-4-methoxy-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa Phosphodiesterase 4A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 4D, putative 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
Cryptosporidium hominis hypothetical 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
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 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
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
Schistosoma mansoni camp-specific 35-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
Echinococcus granulosus cAMP specific 3'5' 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
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans similar to a group of Candida orfs that show weak similarity to Leucine-rich repeat viral proteins Phosphodiesterase 4A   118 aa 97 aa 26.8 %
Onchocerca volvulus SH3 domain-binding glutamic acid-rich protein homolog Phosphodiesterase 4A   118 aa 112 aa 28.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0077 0.0242 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0196 0.3765 0.3765
Loa Loa (eye worm) hypothetical protein 0.0407 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.013 0.1821 1
Loa Loa (eye worm) carboxylesterase 0.0407 1 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0196 0.3765 1
Echinococcus multilocularis carboxylesterase 5A 0.0407 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0407 1 1
Echinococcus granulosus acetylcholinesterase 0.0407 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0069 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0177 0.0177
Brugia malayi Carboxylesterase family protein 0.0407 1 1
Loa Loa (eye worm) hypothetical protein 0.0196 0.3765 0.3765
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0196 0.3765 0.3765
Echinococcus multilocularis acetylcholinesterase 0.0407 1 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0069 0 0.5
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0077 0.0242 1
Mycobacterium ulcerans hypothetical protein 0.0077 0.0242 1
Schistosoma mansoni 6-phosphofructokinase 0.013 0.1821 0.1821
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0407 1 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0196 0.3765 0.3765
Schistosoma mansoni amine GPCR 0.0221 0.4515 0.4515
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0069 0 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0196 0.3765 0.3765
Echinococcus multilocularis acetylcholinesterase 0.0407 1 1
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.013 0.1821 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0196 0.3765 0.3765
Echinococcus granulosus 6 phosphofructo 2 kinase:fructose 2 0.013 0.1821 0.1821
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0196 0.3765 0.3765
Echinococcus granulosus acetylcholinesterase 0.0407 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0196 0.3765 0.3765
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0069 0 0.5
Loa Loa (eye worm) hypothetical protein 0.013 0.1821 0.1821
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0196 0.3765 0.3765
Onchocerca volvulus 0.013 0.1821 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0196 0.3765 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.013 0.1821 1
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.013 0.1821 0.1821
Loa Loa (eye worm) hypothetical protein 0.0407 1 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.013 0.1821 1
Echinococcus granulosus carboxylesterase 5A 0.0407 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0069 0 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0196 0.3765 0.3765
Loa Loa (eye worm) hypothetical protein 0.0128 0.1756 0.1756

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.5 uM Inhibitory potency against pig aortic PDE IV ChEMBL. 8201604
IC50 (binding) = 2.5 uM Inhibitory potency against pig aortic PDE IV ChEMBL. 8201604
IC50 (binding) = 9.5 uM Inhibitory potency against pig aortic PDE III. ChEMBL. 8201604
IC50 (binding) = 20 uM Inhibitory potency against pig aortic PDE I. ChEMBL. 8201604
IC50 (binding) = 20 uM Inhibitory potency against pig aortic PDE I. ChEMBL. 8201604
IC50 (binding) = 35 uM Inhibitory potency against pig aortic PDE V. ChEMBL. 8201604
IC50 (binding) = 35 uM Inhibitory potency against pig aortic PDE V. ChEMBL. 8201604

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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