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

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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