Detailed information for compound 1637453

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 490.862 | Formula: C23H18ClF3N4O3
  • H donors: 2 H acceptors: 3 LogP: 3.78 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCc1oc(nc1C(=O)NCc1ccc(cc1)Cl)c1ccc(c2c1ccc(n2)C(F)(F)F)OC
  • InChi: 1S/C23H18ClF3N4O3/c1-33-16-8-6-15(14-7-9-18(23(25,26)27)30-19(14)16)22-31-20(17(10-28)34-22)21(32)29-11-12-2-4-13(24)5-3-12/h2-9H,10-11,28H2,1H3,(H,29,32)
  • InChiKey: CSVBSUUJDQMTLY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphodiesterase 4B, cAMP-specific Starlite/ChEMBL References
Homo sapiens phosphodiesterase 11A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma congolense cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania infantum cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Toxoplasma gondii hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma congolense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus granulosus cAMP specific 3'5' 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
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative 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
Schistosoma japonicum expressed protein Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 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
Leishmania infantum cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Leishmania braziliensis cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei gambiense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei gambiense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania mexicana cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative 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
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, 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
Trypanosoma brucei cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B Get druggable targets OG5_128242 All targets in OG5_128242
Leishmania braziliensis cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania donovani cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein phosphodiesterase 11A 489 aa 471 aa 34.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0121 0.1544 0.1544
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0121 0.1544 0.1544
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0564 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0564 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0564 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0087 0.0907 0.0794
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0098 0.1112 0.1112
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Schistosoma mansoni serine/threonine protein kinase 0.0564 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0564 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0121 0.1544 0.1544
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0087 0.0907 0.0794
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0476 0.0357
Trichomonas vaginalis CMGC family protein kinase 0.0564 1 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0564 1 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0046 0.0123 0.0123
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0476 0.0357
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0087 0.0907 0.0794
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0087 0.0907 0.0469
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0064 0.046 0.0341
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0564 1 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0046 0.0123 0.0123
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0121 0.1544 0.1544
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0564 1 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0098 0.1112 0.1112
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0121 0.1544 0.1544
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0087 0.0907 0.0469
Loa Loa (eye worm) hypothetical protein 0.0121 0.1544 0.1544
Trichomonas vaginalis CMGC family protein kinase 0.0564 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0087 0.0907 0.0794
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0046 0.0123 0.0123
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0087 0.0907 0.0907
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0087 0.0907 0.0794
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0087 0.0907 0.0469
Echinococcus granulosus mitogen activated protein kinase 0.0564 1 1
Trypanosoma brucei protein kinase, putative 0.0564 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0564 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0564 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0564 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0123 0.0123
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0087 0.0907 0.0907
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0098 0.1112 0.1112
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0087 0.0907 0.0794
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0564 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0087 0.0907 0.0794
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0087 0.0907 0.0907
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Echinococcus multilocularis mitogen activated protein kinase 3 0.0564 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0087 0.0907 0.0794
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0121 0.1544 0.1122
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0046 0.0123 0.0123
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0064 0.046 0.0341
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0476 0.0357
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0087 0.0907 0.0794
Giardia lamblia Kinase, CMGC MAPK 0.0564 1 1
Echinococcus multilocularis mitogen activated protein kinase 0.0564 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0087 0.0907 0.0794
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0087 0.0907 0.0794
Trichomonas vaginalis CMGC family protein kinase 0.0564 1 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0098 0.1112 0.1112
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0087 0.0907 0.0794
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0046 0.0123 0.0123
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0087 0.0907 0.0794

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.4 nM Inhibition of PDE4B ChEMBL. 22401864
IC50 (binding) = 2700 nM Inhibition of PDE11 ChEMBL. 22401864

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.