Detailed information for compound 173563

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 366.472 | Formula: C23H27FN2O
  • H donors: 0 H acceptors: 1 LogP: 4.06 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)CN1CCC(CC1)CC(=O)N1C(C)Cc2c1cccc2
  • InChi: 1S/C23H27FN2O/c1-17-13-20-6-2-3-8-22(20)26(17)23(27)15-18-9-11-25(12-10-18)16-19-5-4-7-21(24)14-19/h2-8,14,17-18H,9-13,15-16H2,1H3
  • InChiKey: HELOJRWGEVUNRF-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
Rattus norvegicus Adrenergic receptor alpha-1 Starlite/ChEMBL References
Homo sapiens dopamine receptor D4 Starlite/ChEMBL References
Homo sapiens dopamine receptor D2 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 cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0765 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0765 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0765 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0765 0 0.5
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0765 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0765 0 0.5
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0765 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0765 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0765 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Plasmodium vivax phosphodiesterase gamma, putative 0.0765 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0765 0 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0765 0 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0765 0 0.5
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0765 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0765 0 0.5
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.8144 1 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0765 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0765 0 0.5
Leishmania major cAMP-specific phosphodiesterase, putative 0.0765 0 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0765 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0765 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0765 0 0.5
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.8144 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0765 0 0.5
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.8144 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0765 0 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0765 0 0.5
Leishmania major hypothetical protein, conserved 0.0765 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0765 0 0.5
Loa Loa (eye worm) PDE1B protein 0.0765 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0765 0 0.5
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0765 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0765 0 0.5
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Giardia lamblia Hypothetical protein 0.0765 0 0.5
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0765 0 0.5
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Giardia lamblia hypothetical protein 0.0765 0 0.5
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Leishmania major hypothetical protein, conserved 0.0765 0 0.5
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0765 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0765 0 0.5
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0765 0 0.5
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.8144 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0765 0 0.5
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0765 0 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0765 0 0.5
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0765 0 0.5
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0765 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 7 nM Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand ChEMBL. 12372512
Ki (binding) = 7 nM Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand ChEMBL. 12372512
Ki (binding) = 52 nM Binding affinity towards human dopamine D2 receptor, using [3H]-YM-09151 as a radioligand ChEMBL. 12372512
Ki (binding) = 52 nM Binding affinity towards human dopamine D2 receptor, using [3H]-YM-09151 as a radioligand ChEMBL. 12372512
Ki (binding) = 118 nM Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]-prazosin as radioligand ChEMBL. 12372512
Ki (binding) = 118 nM Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]-prazosin as radioligand ChEMBL. 12372512

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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