Detailed information for compound 1577272

Basic information

Technical information
  • TDR Targets ID: 1577272
  • Name: ethyl 1-[2-(7-methyl-4-oxo-2-phenylpyrazolo[1 ,5-d][1,2,4]triazin-5-yl)acetyl]piperidine-3- carboxylate
  • MW: 423.465 | Formula: C22H25N5O4
  • H donors: 0 H acceptors: 4 LogP: 1.86 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1CCCN(C1)C(=O)Cn1nc(C)n2c(c1=O)cc(n2)c1ccccc1
  • InChi: 1S/C22H25N5O4/c1-3-31-22(30)17-10-7-11-25(13-17)20(28)14-26-21(29)19-12-18(16-8-5-4-6-9-16)24-27(19)15(2)23-26/h4-6,8-9,12,17H,3,7,10-11,13-14H2,1-2H3
  • InChiKey: KGZCHDRMNRCYDA-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 1-[2-(7-methyl-4-oxo-2-phenyl-pyrazolo[1,5-d][1,2,4]triazin-5-yl)acetyl]piperidine-3-carboxylate
  • 1-[2-(7-methyl-4-oxo-2-phenyl-5-pyrazolo[1,5-d][1,2,4]triazinyl)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester
  • 1-[2-(4-keto-7-methyl-2-phenyl-pyrazolo[1,5-d][1,2,4]triazin-5-yl)acetyl]nipecotic acid ethyl ester
  • ethyl 1-[2-(7-methyl-4-oxo-2-phenyl-pyrazolo[1,5-d][1,2,4]triazin-5-yl)ethanoyl]piperidine-3-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peptidylprolyl cis/trans isomerase, NIMA-interacting 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128367 All targets in OG5_128367
Toxoplasma gondii peptidylprolyl isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Babesia bovis peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania mexicana peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni rotamase Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania donovani peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma japonicum ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania infantum peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Neospora caninum peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major peptidyl-prolyl cis-trans isomerase, putative peptidylprolyl cis/trans isomerase, NIMA-interacting 1 163 aa 133 aa 27.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.004 0.0087 0.0087
Toxoplasma gondii peptidylprolyl isomerase 0.0039 0.008 0.008
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.1505 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.0085 0.0386 0.0308
Echinococcus multilocularis adenosine deaminase 0.0085 0.0386 0.0386
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0085 0.0386 0.0386
Plasmodium falciparum adenosylhomocysteinase 0.1505 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0057 0.0199 0.0199
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.1505 1 1
Treponema pallidum adenosine deaminase 0.0085 0.0386 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.008 0.008
Trichomonas vaginalis adenosine deaminase, putative 0.0085 0.0386 0.0308
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0039 0.008 0.008
Schistosoma mansoni adenosylhomocysteinase 0.0931 0.6117 0.6117
Loa Loa (eye worm) hypothetical protein 0.0057 0.0199 0.0199
Echinococcus granulosus expressed protein 0.004 0.0087 0.0087
Toxoplasma gondii adenosylhomocysteinase, putative 0.1505 1 1
Echinococcus granulosus adenosylhomocysteinase 0.1505 1 1
Entamoeba histolytica adenosine deaminase, putative 0.0085 0.0386 0.0386
Echinococcus granulosus adenosine deaminase 0.0085 0.0386 0.0386
Schistosoma mansoni adenosylhomocysteinase 0.0931 0.6117 0.6117
Loa Loa (eye worm) hypothetical protein 0.0085 0.0386 0.0386
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.1505 1 1
Trichomonas vaginalis rotamase, putative 0.004 0.0087 0.0006
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0085 0.0386 0.0386
Schistosoma mansoni adenosylhomocysteinase 0.0931 0.6117 0.6117
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0087 0.0006
Entamoeba histolytica adenosine deaminase, putative 0.0085 0.0386 0.0386
Onchocerca volvulus Adenosine deaminase homolog 0.0085 0.0386 1
Loa Loa (eye worm) adenosylhomocysteinase 0.1505 1 1
Brugia malayi Adenosine/AMP deaminase family protein 0.0085 0.0386 0.0386
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0039 0.008 0.008
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0472 0.3011 0.2955
Trichomonas vaginalis adenosylhomocysteinase, putative 0.1505 1 1
Leishmania major adenine aminohydrolase 0.0085 0.0386 0.0386
Schistosoma mansoni adenosylhomocysteinase 0.1505 1 1
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.1505 1 1
Trichomonas vaginalis adenosylhomocysteinase, putative 0.1505 1 1
Leishmania major S-adenosylhomocysteine hydrolase 0.1505 1 1
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.1505 1 1
Schistosoma mansoni adenosylhomocysteinase 0.0931 0.6117 0.6117
Echinococcus multilocularis adenosylhomocysteinase 0.1505 1 1
Schistosoma mansoni rotamase 0.004 0.0087 0.0087
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.1505 1 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.0087 0.0087
Loa Loa (eye worm) hypothetical protein 0.0057 0.0199 0.0199
Schistosoma mansoni adenosine deaminase 0.0085 0.0386 0.0386
Echinococcus multilocularis expressed protein 0.004 0.0087 0.0087
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0039 0.008 0.008
Plasmodium falciparum adenosine deaminase 0.0085 0.0386 0.0386
Entamoeba histolytica adenosylhomocysteinase, putative 0.1505 1 1
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.1505 1 1
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.1505 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0199 0.0199
Schistosoma mansoni adenosine deaminase-related 0.0085 0.0386 0.0386
Plasmodium vivax adenosine deaminase, putative 0.0085 0.0386 0.0386

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.