Detailed information for compound 864943

Basic information

Technical information
  • TDR Targets ID: 864943
  • Name: 1-(4-methylphenyl)-4-[(3-methylphenyl)amino]- 1,3-diazaspiro[4.4]non-3-ene-2-thione
  • MW: 349.492 | Formula: C21H23N3S
  • H donors: 1 H acceptors: 0 LogP: 4.72 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)N1C(=S)N=C(C21CCCC2)Nc1cccc(c1)C
  • InChi: 1S/C21H23N3S/c1-15-8-10-18(11-9-15)24-20(25)23-19(21(24)12-3-4-13-21)22-17-7-5-6-16(2)14-17/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,23,25)
  • InChiKey: PKKFWPIIHLZDST-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ChemDiv1_025206
  • ZINC00063029
  • A1290/0058744
  • ZINC04466254

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
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0298 0.5937 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.006 0.0222 0.0307
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Trichomonas vaginalis glycogen phosphorylase, putative 0.0116 0.1547 0.4252
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0196 0.3477 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0084 0.078 0.1968
Echinococcus multilocularis glycogen phosphorylase 0.0116 0.1547 0.1091
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0113 0.1476 0.0991
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0088 0.088 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0084 0.078 0.1968
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0219 0.4039 0.4635
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0084 0.078 0.1314
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0219 0.4039 0.4635
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0113 0.1476 0.0991
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0219 0.4039 0.4608
Loa Loa (eye worm) glycogen phosphorylase 0.0116 0.1547 0.1045
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0084 0.078 0.1314
Loa Loa (eye worm) hypothetical protein 0.0113 0.1476 0.0945
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0084 0.078 0.1314
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0376 0.781 0.7625
Echinococcus multilocularis glycogen phosphorylase 0.0116 0.1547 0.1091
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0084 0.078 0.0976
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0376 0.781 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0063 0.0291 0.0511
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0113 0.1476 0.0991
Brugia malayi carbohydrate phosphorylase 0.0116 0.1547 0.1045
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0376 0.781 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0298 0.5937 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0084 0.078 0.1968
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0196 0.3477 1
Echinococcus granulosus glycogen phosphorylase 0.0116 0.1547 0.1091
Leishmania major mitochondrial DNA polymerase beta 0.0298 0.5937 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Trypanosoma cruzi hypothetical protein, conserved 0.006 0.0222 0.0375
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0088 0.088 0.1483
Trypanosoma cruzi hypothetical protein, conserved 0.006 0.0222 0.0375
Echinococcus granulosus Glycosyl transferase family 35 0.0116 0.1547 0.1091
Trypanosoma brucei RNA helicase, putative 0.0157 0.2536 0.4048
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0063 0.0291 0.049
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0196 0.3477 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0196 0.3477 0.3804
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0088 0.088 0.5609
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0113 0.1476 0.0991
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0088 0.088 0.0143
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0196 0.3477 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.006 0.0222 0.0307
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0196 0.3477 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0084 0.078 0.1968
Onchocerca volvulus 0.0196 0.3477 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0063 0.0291 0.0511
Echinococcus granulosus glycogen phosphorylase 0.0116 0.1547 0.1091
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0196 0.3477 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0113 0.1476 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0084 0.078 0.0976
Echinococcus multilocularis Glycosyl transferase, family 35 0.0116 0.1547 0.1091
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0084 0.078 0.1968
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0196 0.3477 1
Schistosoma mansoni glycogen phosphorylase 0.0116 0.1547 0.0832
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0196 0.3477 1
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0088 0.088 0.1152
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.2163 0.3396
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0376 0.781 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0084 0.078 0.1968
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0088 0.088 0.5609
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0219 0.4039 0.3534
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0084 0.078 0.1968
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0084 0.078 0.1968
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.2163 0.3643
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0196 0.3477 0.3804
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0376 0.781 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Trichomonas vaginalis glycogen phosphorylase, putative 0.0116 0.1547 0.4252
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Schistosoma mansoni hypothetical protein 0.0157 0.2536 0.1904
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0196 0.3477 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0085 0.0816 0.0051
Giardia lamblia Glycogen phosphorylase 0.0116 0.1547 0.0352
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.078 0.1968
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0113 0.1476 0.0755
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0298 0.5937 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0084 0.078 0.1968
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0196 0.3477 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0088 0.088 0.0143
Chlamydia trachomatis glycogen phosphorylase 0.0116 0.1547 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0084 0.078 0.1968
Mycobacterium tuberculosis Conserved hypothetical protein 0.0157 0.2546 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0085 0.0816 0.0051
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0088 0.088 0.1152
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0084 0.078 0.1968
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0141 0.2163 0.3396
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0084 0.078 0.1968
Loa Loa (eye worm) PDE1B protein 0.0219 0.4039 0.4608
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0088 0.088 0.1483
Schistosoma mansoni glycogen phosphorylase 0.0116 0.1547 0.0832

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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