Detailed information for compound 173508

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.465 | Formula: C23H26N2O
  • H donors: 1 H acceptors: 2 LogP: 5.38 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1ccc(cc1)CCC(=O)Nc1cccc2c1ccnc2)(C)C
  • InChi: 1S/C23H26N2O/c1-4-23(2,3)19-11-8-17(9-12-19)10-13-22(26)25-21-7-5-6-18-16-24-15-14-20(18)21/h5-9,11-12,14-16H,4,10,13H2,1-3H3,(H,25,26)
  • InChiKey: UURSBKYCNJOKKX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens transient receptor potential cation channel, subfamily V, member 1 Starlite/ChEMBL References

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
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0214 0.2645 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0111 0.1178 0.031
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0094 0.094 0.2865
Leishmania major eukaryotic translation initiation factor-like 0.0214 0.2645 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0123 0.1357 0.461
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0094 0.094 0.2865
Loa Loa (eye worm) hypothetical protein 0.0111 0.1178 0.0264
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0094 0.094 0.0945
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0214 0.2645 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0725 0.9944 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0094 0.094 0.0945
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0094 0.094 0.2865
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.014 0.1595 0.5606
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.014 0.1595 0.5606
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0372 0.4907 0.5
Toxoplasma gondii RNA-directed DNA polymerase 0.0097 0.0987 0.0751
Trypanosoma brucei cAMP-specific phosphodiesterase 0.014 0.1595 0.1478
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.014 0.1595 0.5606
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0111 0.1178 0.0264
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0111 0.1178 0.386
Plasmodium vivax telomerase reverse transcriptase, putative 0.0097 0.0987 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0214 0.2645 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0094 0.094 0.2865
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0094 0.094 0.0789
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.014 0.1595 0.5606
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0123 0.1357 0.461
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0094 0.094 0.0789
Brugia malayi Telomerase reverse transcriptase 0.0259 0.3291 0.3068
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.014 0.1595 0.0727
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0111 0.1178 0.386
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.014 0.1595 0.3841
Loa Loa (eye worm) hypothetical protein 0.0725 0.9944 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.014 0.1595 0.1604
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0094 0.094 0.2865
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0631 0.8605 0.8512
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0098 0.0996 0.076
Leishmania major eukaryotic translation initiation factor-like protein 0.0214 0.2645 1
Loa Loa (eye worm) translation initiation factor 4E 0.0214 0.2645 0.1894
Trichomonas vaginalis conserved hypothetical protein 0.0094 0.094 0.2865
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0725 0.9944 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.014 0.1595 0.5606
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0094 0.094 0.0789
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0214 0.2645 0.2582
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0097 0.0987 0.0277
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0214 0.2645 0.5
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0214 0.2645 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0111 0.1178 0.0264
Trypanosoma brucei cAMP-specific phosphodiesterase 0.014 0.1595 0.1478
Giardia lamblia Telomerase catalytic subunit 0.0097 0.0987 0.0052
Trypanosoma brucei hypothetical protein, conserved 0.0094 0.094 0.0789
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.014 0.1595 0.0727
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0725 0.9944 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.014 0.1595 0.5606
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0214 0.2645 0.2453
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0631 0.8605 0.8512
Leishmania major telomerase reverse transcriptase, putative 0.0097 0.0987 0.0277
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0094 0.094 0.2865
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0094 0.094 0.0789
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0725 0.9944 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.014 0.1595 0.5606
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0725 0.9944 1
Plasmodium falciparum telomerase reverse transcriptase 0.0097 0.0987 1
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0214 0.2645 0.1894
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0725 0.9944 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0094 0.094 0.0945
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0094 0.094 0.0945
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0094 0.094 0.0945
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0094 0.094 0.2865
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0214 0.2645 0.1894
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0214 0.2645 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.014 0.1595 0.5606
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0094 0.094 0.0945
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0214 0.2645 1
Trichomonas vaginalis conserved hypothetical protein 0.014 0.1595 0.5606
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0111 0.1178 0.031
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0111 0.1178 0.1185
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0111 0.1178 0.386
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0214 0.2645 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0094 0.094 0.2865
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0631 0.8605 0.8512
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0094 0.094 0.0945
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.014 0.1595 0.5606
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.014 0.1595 0.5606
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.014 0.1595 0.3841
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0631 0.8605 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.014 0.1595 0.5606
Trichomonas vaginalis conserved hypothetical protein 0.0094 0.094 0.2865
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703
Brugia malayi translation initiation factor 4E 0.0214 0.2645 0.2225
Schistosoma mansoni hypothetical protein 0.0708 0.97 0.9755
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.014 0.1595 0.5606
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0094 0.094 0.2865
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0214 0.2645 0.266
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0214 0.2645 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.014 0.1595 0.3841
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0094 0.094 0.2865
Trypanosoma brucei telomerase reverse transcriptase 0.0097 0.0987 0.0839
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0097 0.0987 0.0277
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0094 0.094 0.0945
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0123 0.1357 0.2446
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703
Trypanosoma brucei RNA helicase, putative 0.0708 0.97 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0094 0.094 0.0703

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 13 nM Antagonistic activity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane, as inhibition of agonist-induced intracellular [Ca2+] levels. ChEMBL. 15149643
IC50 (functional) = 13 nM Antagonistic activity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane, as inhibition of agonist-induced intracellular [Ca2+] levels. ChEMBL. 15149643
Ki (binding) = 4 nM Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand. ChEMBL. 15149643
Ki (binding) = 4 nM Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand. ChEMBL. 15149643

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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