Detailed information for compound 104551

Basic information

Technical information
  • TDR Targets ID: 104551
  • Name: (1-pyridin-4-ylpiperidin-4-yl) N-[2-[(4-metho xybenzoyl)amino]phenyl]carbamate
  • MW: 446.498 | Formula: C25H26N4O4
  • H donors: 2 H acceptors: 3 LogP: 3.61 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)Nc1ccccc1NC(=O)OC1CCN(CC1)c1ccncc1
  • InChi: 1S/C25H26N4O4/c1-32-20-8-6-18(7-9-20)24(30)27-22-4-2-3-5-23(22)28-25(31)33-21-12-16-29(17-13-21)19-10-14-26-15-11-19/h2-11,14-15,21H,12-13,16-17H2,1H3,(H,27,30)(H,28,31)
  • InChiKey: MHIUUKLFKXIBEF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [1-(4-pyridyl)-4-piperidyl] N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
  • N-[2-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]carbamic acid [1-(4-pyridyl)-4-piperidinyl] ester
  • (1-pyridin-4-ylpiperidin-4-yl) N-[2-[(4-methoxyphenyl)carbonylamino]phenyl]carbamate
  • N-[2-(p-anisoylamino)phenyl]carbamic acid [1-(4-pyridyl)-4-piperidyl] ester
  • N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamic acid [1-(4-pyridyl)-4-piperidyl] ester

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
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.1136 0.4074 0.4074
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.1136 0.4074 0.4074
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.1801 0.7766 0.7766
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1136 0.4074 0.9493
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.1801 0.7766 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0678 0.1533 0.1533
Loa Loa (eye worm) PDE1B protein 0.0967 0.3133 0.3133
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0402 0 0.5
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.2203 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0402 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0678 0.1533 0.3571
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.058 0.0985 0.0985
Trichomonas vaginalis conserved hypothetical protein 0.0734 0.184 0.4287
Loa Loa (eye worm) hypothetical protein 0.0767 0.2025 0.2025
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1136 0.4074 0.9493
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0402 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1136 0.4074 0.9493
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1175 0.4292 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1136 0.4074 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Loa Loa (eye worm) hypothetical protein 0.1253 0.4726 0.4726
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1136 0.4074 0.9493
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1801 0.7766 0.7766
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0767 0.2025 0.2608
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0442 0.0218 0.0507
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1801 0.7766 0.7766
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Toxoplasma gondii hypothetical protein 0.0734 0.184 0.184
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.086 0.2541 0.5921
Loa Loa (eye worm) hypothetical protein 0.2203 1 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.1136 0.4074 0.9493
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.058 0.0985 0.2416
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1136 0.4074 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.058 0.0985 0.0985
Trichomonas vaginalis conserved hypothetical protein 0.1175 0.4292 1
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0678 0.1533 0.1533
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.2203 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0678 0.1533 0.3571
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1136 0.4074 0.9493
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1136 0.4074 0.9493
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1136 0.4074 0.9493
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0967 0.3133 0.3133
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.1136 0.4074 0.4074
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0442 0.0218 0.0507
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.1253 0.4726 0.6085
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1136 0.4074 1
Plasmodium falciparum phosphodiesterase gamma, putative 0.0402 0 0.5
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.058 0.0985 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1136 0.4074 0.9493
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.058 0.0985 0.2416
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0967 0.3133 0.3133
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0767 0.2025 0.2025
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.058 0.0985 0.2416
Trichomonas vaginalis conserved hypothetical protein 0.0734 0.184 0.4287
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1175 0.4292 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.058 0.0985 0.0985
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.086 0.2541 0.5921
Trichomonas vaginalis conserved hypothetical protein 0.0734 0.184 0.4287
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1175 0.4292 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0967 0.3133 0.3133
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1136 0.4074 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0678 0.1533 0.1974
Loa Loa (eye worm) hypothetical protein 0.0851 0.2491 0.2491
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0678 0.1533 0.3571
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.2203 1 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.2203 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1136 0.4074 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.058 0.0985 0.0985
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0402 0 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.2203 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.086 0.2541 0.6238
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0967 0.3133 0.4034
Plasmodium falciparum phosphodiesterase delta, putative 0.0402 0 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.2203 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1136 0.4074 0.9493
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.058 0.0985 0.2416

Activities

Activity type Activity value Assay description Source Reference
K ass (binding) = 17000000 l M-1 Binding affinity for human Coagulation factor X ChEMBL. 10841787
K ass (binding) = 17000000 l M-1 Binding affinity for human Coagulation factor X ChEMBL. 10841787
PT (functional) = 2.6 uM Prothrombin time activity, concentration required to double the time of clot formation in the prothrombin time assay ChEMBL. 10841787

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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