Detailed information for compound 283899

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 273.396 | Formula: C15H19N3S
  • H donors: 0 H acceptors: 1 LogP: 3.17 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=C)CN1Cc2cccc3c2n(C[C@H]1C)c(n3)S
  • InChi: 1S/C15H19N3S/c1-10(2)7-17-9-12-5-4-6-13-14(12)18(8-11(17)3)15(19)16-13/h4-6,11H,1,7-9H2,2-3H3,(H,16,19)/t11-/m1/s1
  • InChiKey: NQNUYBZRXOZDAN-LLVKDONJSA-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

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
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Leishmania major hypothetical protein, conserved 0.0093 0 0.5
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0673 0.8614 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Echinococcus granulosus acetylcholinesterase 0.0486 0.5842 0.5842
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0093 0 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0486 0.5842 0.5842
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0673 0.8614 0.8614
Loa Loa (eye worm) carboxylesterase 0.0486 0.5842 0.5842
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0766 1 1
Schistosoma mansoni hypothetical protein 0.01 0.01 0.01
Brugia malayi Carboxylesterase family protein 0.0486 0.5842 0.6782
Plasmodium falciparum phosphodiesterase gamma, putative 0.0093 0 0.5
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0093 0 0.5
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0093 0 0.5
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0673 0.8614 0.8614
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Leishmania major hypothetical protein, conserved 0.0093 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0486 0.5842 0.5842
Leishmania major cAMP-specific phosphodiesterase, putative 0.0093 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.0486 0.5842 0.5842
Trichomonas vaginalis conserved hypothetical protein 0.0093 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0486 0.5842 0.5842
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0093 0 0.5
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0093 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Plasmodium falciparum phosphodiesterase delta, putative 0.0093 0 0.5
Echinococcus granulosus carboxylesterase 5A 0.0486 0.5842 0.5842
Plasmodium vivax phosphodiesterase gamma, putative 0.0093 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0486 0.5842 0.5842
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0093 0 0.5
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0093 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0766 1 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0766 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0093 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0093 0 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Echinococcus granulosus acetylcholinesterase 0.0486 0.5842 0.5842
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0766 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0093 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0486 0.5842 0.5842
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0766 1 1
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0093 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0766 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0093 0 0.5
Trypanosoma brucei RNA helicase, putative 0.01 0.01 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Brugia malayi Carboxylesterase family protein 0.0486 0.5842 0.6782
Trypanosoma cruzi hypothetical protein, conserved 0.0093 0 0.5
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0673 0.8614 0.8614
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.0486 0.5842 0.5842
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0093 0 0.5
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0093 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0093 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0766 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0093 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0093 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0093 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0093 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.026 uM Effective concentration required to achieve 50% protection of MT-4 cells against the cytopathic effect of HIV-1. ChEMBL. 7877143

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

No external resources registered 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.