Detailed information for compound 1782522

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 303.707 | Formula: C14H13ClF3NO
  • H donors: 1 H acceptors: 0 LogP: 4.39 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCc1ccc(cc1)c1ccc(cc1)OC(F)(F)F.Cl
  • InChi: 1S/C14H12F3NO.ClH/c15-14(16,17)19-13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11;/h1-8H,9,18H2;1H
  • InChiKey: NRDYUXUKFMIWAG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.117 0.0523 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.2298 0.4144 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1796 0.2532 0.5875
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1796 0.2532 0.5875
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1796 0.2532 1
Trichomonas vaginalis conserved hypothetical protein 0.1184 0.0569 0.0853
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.1007 0 0.5
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.1796 0.2532 0.5875
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1327 0.1026 0.2023
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.4122 1 1
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.3202 0.7045 0.7045
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1796 0.2532 0.5875
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.1218 0.0675 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1184 0.0569 0.0853
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1327 0.1026 0.2023
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2298 0.4144 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.117 0.0523 0.9201
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.1871 0.2772 0.2158
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1114 0.0342 0.0273
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.1251 0.0783 0.0345
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1796 0.2532 0.5875
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.1871 0.2772 0.2772
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.1251 0.0783 0.0625
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.2298 0.4144 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.117 0.0523 0.0523
Loa Loa (eye worm) hypothetical protein 0.2849 0.5913 0.7174
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.117 0.0523 0.0523
Trichomonas vaginalis conserved hypothetical protein 0.1184 0.0569 0.0853
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1796 0.2532 0.5875
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Loa Loa (eye worm) hypothetical protein 0.3511 0.8037 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.1871 0.2772 0.2772
Loa Loa (eye worm) hypothetical protein 0.2463 0.4672 0.5522
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1114 0.0342 0.0273
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Trichomonas vaginalis conserved hypothetical protein 0.2298 0.4144 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Loa Loa (eye worm) hypothetical protein 0.2795 0.574 0.6943
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.1796 0.2532 0.4842
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.3202 0.7045 0.7045
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.1218 0.0675 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.117 0.0523 0.0523
Toxoplasma gondii hypothetical protein 0.1184 0.0569 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1796 0.2532 0.5875
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1327 0.1026 0.2023
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1796 0.2532 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.2463 0.4672 0.4219
Loa Loa (eye worm) PDE1B protein 0.1871 0.2772 0.2993
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.1871 0.2772 0.542
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1796 0.2532 0.5875
Loa Loa (eye worm) hypothetical protein 0.3461 0.7877 0.9787
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1796 0.2532 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1796 0.2532 0.5875
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.117 0.0523 0.0523
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1796 0.2532 1
Loa Loa (eye worm) hypothetical protein 0.1251 0.0783 0.0345
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.3461 0.7877 0.7696
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.1796 0.2532 0.2532
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1796 0.2532 0.5875
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1081 0.0235 0.0929
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.4122 1 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.2463 0.4672 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1796 0.2532 1
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.1796 0.2532 0.2532

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 50 mg kg-1 Anticonvulsant activity against ip dosed albino CF1 mouse after 0.5 to 2 hrs by maximal electroshock seizure test ChEMBL. 23772678

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.

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