Detailed information for compound 435199

Basic information

Technical information
  • TDR Targets ID: 435199
  • Name: 4-(4-phenylpiperazin-1-yl)-6-[(E)-2-(2,6,6-tr imethylcyclohexen-1-yl)ethenyl]pyrimidin-2-am ine
  • MW: 403.563 | Formula: C25H33N5
  • H donors: 1 H acceptors: 2 LogP: 5.09 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(cc(n1)/C=C/C1=C(C)CCCC1(C)C)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C25H33N5/c1-19-8-7-13-25(2,3)22(19)12-11-20-18-23(28-24(26)27-20)30-16-14-29(15-17-30)21-9-5-4-6-10-21/h4-6,9-12,18H,7-8,13-17H2,1-3H3,(H2,26,27,28)/b12-11+
  • InChiKey: WIFPCGIGZLODJI-VAWYXSNFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-phenylpiperazin-1-yl)-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)vinyl]pyrimidin-2-amine
  • 4-(4-phenyl-1-piperazinyl)-6-[(E)-2-(2,6,6-trimethyl-1-cyclohexenyl)vinyl]-2-pyrimidinamine
  • [4-(4-phenylpiperazino)-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)vinyl]pyrimidin-2-yl]amine
  • 4-(4-phenylpiperazin-1-yl)-6-[(E)-2-(2,6,6-trimethyl-1-cyclohexenyl)ethenyl]pyrimidin-2-amine
  • 4-(4-phenylpiperazin-1-yl)-6-[(E)-2-(2,6,6-trimethyl-1-cyclohexenyl)vinyl]pyrimidin-2-amine
  • [4-(4-phenylpiperazin-1-yl)-6-[(E)-2-(2,6,6-trimethyl-1-cyclohexenyl)vinyl]pyrimidin-2-yl]amine

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 0.0349 0.4242 1
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0095 0.038
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0214 0.2509 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0397 0.1874
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0732 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.039 0.092
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0397 0.1874
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0049 0.039 0.092
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0732 1
Onchocerca volvulus 0.0214 0.2509 1
Brugia malayi intermediate filament protein 0.0026 0.0095 0.038
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0732 0.2919
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0165 0.1881 0.4435
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0214 0.2509 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0732 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0798 1 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0397 0.0397
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0165 0.1881 0.4435
Brugia malayi Probable ClpP-like protease 0.0076 0.0732 0.2919
Mycobacterium tuberculosis Conserved hypothetical protein 0.0184 0.2121 1
Schistosoma mansoni hypothetical protein 0.0164 0.1867 0.1867
Schistosoma mansoni lamin 0.0026 0.0095 0.0095
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0732 1
Echinococcus multilocularis lamin 0.0026 0.0095 0.0095
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0066 0.0607 0.2421
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.1532 0.6106
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0095 0.038
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0732 1
Toxoplasma gondii hypothetical protein 0.0056 0.0483 0.6086
Loa Loa (eye worm) hypothetical protein 0.0026 0.0095 0.038
Schistosoma mansoni lamin 0.0026 0.0095 0.0095
Echinococcus granulosus lamin dm0 0.0026 0.0095 0.0095
Brugia malayi MH2 domain containing protein 0.0138 0.1532 0.6106
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0214 0.2509 1
Echinococcus granulosus geminin 0.0164 0.1867 0.1867
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0214 0.2509 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0732 0.5
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0397 0.0397
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0049 0.039 0.092
Leishmania major mitochondrial DNA polymerase beta 0.0349 0.4242 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0214 0.2509 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.006 0.0528 0.1245
Schistosoma mansoni microtubule-associated protein tau 0.0798 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0095 0.038
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0066 0.0607 0.2421
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0214 0.2509 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0214 0.2509 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0148 0.1661 0.7834
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0214 0.2509 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0732 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0732 0.0732
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0349 0.4242 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.039 0.092
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0732 0.0732
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.1532 0.6106
Echinococcus multilocularis lamin dm0 0.0026 0.0095 0.0095
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0397 0.4744
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.0732 1
Echinococcus granulosus lamin 0.0026 0.0095 0.0095
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0349 0.4242 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0165 0.1881 0.4435
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0732 0.2919
Loa Loa (eye worm) hypothetical protein 0.0076 0.0732 0.2919
Echinococcus granulosus intermediate filament protein 0.0026 0.0095 0.0095
Mycobacterium ulcerans hypothetical protein 0.0184 0.2121 0.8454
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0066 0.0607 0.1432
Schistosoma mansoni intermediate filament proteins 0.0026 0.0095 0.0095
Echinococcus multilocularis geminin 0.0164 0.1867 0.1867
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0214 0.2509 1
Echinococcus multilocularis musashi 0.0026 0.0095 0.0095
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0214 0.2509 1
Schistosoma mansoni hypothetical protein 0.0164 0.1867 0.1867
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0214 0.2509 1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0214 0.2509 1
Leishmania major hypothetical protein, conserved 0.0066 0.0607 0.1432
Trypanosoma cruzi hypothetical protein, conserved 0.0066 0.0607 0.1432
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0732 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0066 0.0607 0.1432
Loa Loa (eye worm) hypothetical protein 0.0026 0.0089 0.0356
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0732 0.0732

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Antileishmanial activity against Leishmania donovani HOM/IN/80DD8 in hamster at 50 mg/kg, iv after 7 days ChEMBL. 17499393

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.

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