Detailed information for compound 891923

Basic information

Technical information
  • TDR Targets ID: 891923
  • Name: 2-[(3-chlorophenyl)methyl]-1-cyclohexyl-3,4,6 ,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazine
  • MW: 332.911 | Formula: C20H29ClN2
  • H donors: 0 H acceptors: 0 LogP: 5.19 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)CN1CCN2C(C1C1CCCCC1)CCC2
  • InChi: 1S/C20H29ClN2/c21-18-9-4-6-16(14-18)15-23-13-12-22-11-5-10-19(22)20(23)17-7-2-1-3-8-17/h4,6,9,14,17,19-20H,1-3,5,7-8,10-13,15H2
  • InChiKey: FDDGVKWNNYKGKF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(3-chlorobenzyl)-1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazine
  • Oprea1_123248

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
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1825 1 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.004 0.0125 0.0324
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1825 1 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0125 0.0164
Schistosoma mansoni dihydroorotate dehydrogenase 0.1825 1 1
Toxoplasma gondii GAF domain-containing protein 0.0029 0.0063 0.0063
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0031 0.0172
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0713 0.3845 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0713 0.3845 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0357 0.1878 0.1878
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.1825 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0713 0.3845 1
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.1825 1 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0713 0.3845 1
Loa Loa (eye worm) hypothetical protein 0.0317 0.1656 0.9116
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.004 0.0125 0.0164
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.004 0.0125 0.0686
Brugia malayi Cytochrome P450 family protein 0.0023 0.0031 0.0031
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.004 0.0125 0.0125
Leishmania major cytochrome p450-like protein 0.0023 0.0031 0.0031
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0713 0.3845 1
Brugia malayi Cytochrome P450 family protein 0.0023 0.0031 0.0031
Mycobacterium ulcerans putative regulatory protein 0.0029 0.0063 0.0063
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.004 0.0125 0.0125
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0029 0.0063 0.0063
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.004 0.0125 0.0164
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0357 0.1878 0.4885
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Loa Loa (eye worm) cytochrome P450 family protein 0.0076 0.0323 0.178
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0713 0.3845 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1825 1 1
Trypanosoma brucei RNA helicase, putative 0.0125 0.0595 0.0595
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.1825 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0713 0.3845 1
Brugia malayi Zinc finger, C2H2 type family protein 0.0713 0.3845 0.3845
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0029 0.0063 0.0063
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0031 0.0172
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.004 0.0125 0.0324
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.004 0.0125 0.0164
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.1825 1 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.1825 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0713 0.3845 0.5
Mycobacterium ulcerans putative regulatory protein 0.0029 0.0063 0.0063
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0713 0.3845 1
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.1825 1 1
Schistosoma mansoni hypothetical protein 0.0125 0.0595 0.0595
Toxoplasma gondii hypothetical protein 0.0029 0.0063 0.0063
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.1825 1 1
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1825 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.004 0.0125 0.0164
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.004 0.0125 0.0125
Mycobacterium leprae conserved hypothetical protein 0.0029 0.0063 0.0063
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0031 0.0031
Toxoplasma gondii hypothetical protein 0.0029 0.0063 0.0063
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.004 0.0125 0.0125
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0713 0.3845 0.3845
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0019 0.0005 0.0012
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0031 0.0031
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.004 0.0125 0.0125
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.004 0.0125 0.0125
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0357 0.1878 0.4885
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0031 0.0031
Leishmania major dihydroorotate dehydrogenase 0.1825 1 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Toxoplasma gondii hypothetical protein 0.0029 0.0063 0.0063
Trypanosoma brucei cAMP-specific phosphodiesterase 0.004 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0346 0.1817 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Trypanosoma brucei cAMP-specific phosphodiesterase 0.004 0.0125 0.0125
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0713 0.3845 1
Echinococcus multilocularis nmda type glutamate receptor 0.0019 0.0005 0.0012
Echinococcus granulosus nmda type glutamate receptor 0.0019 0.0005 0.0012
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0029 0.0063 0.0063
Plasmodium falciparum dihydroorotate dehydrogenase 0.1825 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0713 0.3845 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.004 0.0125 0.0164
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.004 0.0125 0.0164
Brugia malayi Cytochrome P450 family protein 0.0076 0.0323 0.0323
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0031 0.0172

Activities

No activities found for this compound.

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

No literature references available for this target.

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