Detailed information for compound 304614

Basic information

Technical information
  • TDR Targets ID: 304614
  • Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]-6-pipera zin-1-yl-1H-1,3,5-triazin-4-one
  • MW: 375.856 | Formula: C17H22ClN7O
  • H donors: 2 H acceptors: 4 LogP: 2.43 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc(nc(n1)N1CCNCC1)N1CCN(CC1)c1ccc(cc1)Cl
  • InChi: 1S/C17H22ClN7O/c18-13-1-3-14(4-2-13)23-9-11-25(12-10-23)16-20-15(21-17(26)22-16)24-7-5-19-6-8-24/h1-4,19H,5-12H2,(H,20,21,22,26)
  • InChiKey: CKDKGCQCXINLNK-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[4-(4-chlorophenyl)-1-piperazinyl]-6-(1-piperazinyl)-1H-1,3,5-triazin-4-one
  • 2-[4-(4-chlorophenyl)piperazino]-6-piperazino-1H-s-triazin-4-one

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
Schistosoma mansoni immunophilin 0.1533 0.862 0.862
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.1748 0.9853 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.1748 0.9853 1
Trypanosoma brucei hypothetical protein, conserved 0.0241 0.1206 0.1224
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0241 0.1206 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.1753 0.988 1
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0241 0.1206 0.5
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0241 0.1206 0.1224
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0241 0.1206 0.5
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.1748 0.9853 0.9853
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.1774 1 1
Echinococcus granulosus FK506 binding protein 2 0.0241 0.1206 0.1206
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1748 0.9853 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.1748 0.9853 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.1748 0.9853 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.1748 0.9853 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.1748 0.9853 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0241 0.1206 0.5
Leishmania major peptidylprolyl isomerase-like protein 0.1748 0.9853 1
Trichomonas vaginalis fk506-binding protein, putative 0.1748 0.9853 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.1774 1 1
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0241 0.1206 0.1224
Trichomonas vaginalis fk506-binding protein, putative 0.0241 0.1206 0.1224
Schistosoma mansoni fk506 binding protein 0.0241 0.1206 0.1206
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.1748 0.9853 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.1748 0.9853 0.9853
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.1748 0.9853 1
Loa Loa (eye worm) hypothetical protein 0.0241 0.1206 0.1224
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0241 0.1206 0.1224
Loa Loa (eye worm) FKBP5 protein 0.1748 0.9853 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0241 0.1206 0.5
Trichomonas vaginalis fk506 binding protein, putative 0.0241 0.1206 0.1224
Trichomonas vaginalis conserved hypothetical protein 0.0241 0.1206 0.1224
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1748 0.9853 1
Leishmania major fk506-binding protein 1-like protein 0.1748 0.9853 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.1748 0.9853 0.9969
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.1774 1 1
Onchocerca volvulus 0.0245 0.1233 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0241 0.1206 0.1224
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.1533 0.862 0.862
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.1748 0.9853 1
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0241 0.1206 0.5
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0241 0.1206 0.5
Onchocerca volvulus 0.0241 0.1206 0.9782
Trichomonas vaginalis immunophilin, putative 0.1748 0.9853 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.1748 0.9853 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.1748 0.9853 1
Schistosoma mansoni immunophilin 0.1774 1 1
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0241 0.1206 0.1224
Loa Loa (eye worm) hypothetical protein 0.1512 0.85 0.8627
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0241 0.1206 0.1224
Trichomonas vaginalis fk506-binding protein, putative 0.0241 0.1206 0.1224
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1748 0.9853 1
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0241 0.1206 0.5
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0241 0.1206 0.1224
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0241 0.1206 0.5
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.1748 0.9853 1
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0241 0.1206 0.1206
Schistosoma mansoni hypothetical protein 0.0241 0.1206 0.1206
Schistosoma mansoni immunophilin 0.1774 1 1
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0266 0.1353 0.1353
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0241 0.1206 0.1224
Echinococcus multilocularis 0.0241 0.1206 0.1206
Trichomonas vaginalis conserved hypothetical protein 0.0241 0.1206 0.1224
Echinococcus multilocularis fk506 binding protein 0.1748 0.9853 0.9853
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.1533 0.862 0.862
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0241 0.1206 0.1224

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 11 % Compound was tested for inhibitory activity against Cholesteryl ester transfer protein at 50 uM ChEMBL. No reference
Inhibition (binding) = 11 % Compound was tested for inhibitory activity against Cholesteryl ester transfer protein at 50 uM ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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