Detailed information for compound 1445779

Basic information

Technical information
  • TDR Targets ID: 1445779
  • Name: tert-butyl 4-[4-[(1-ethoxycarbonylpiperidin-4 -yl)carbamoyl]-2-phenylpyrazol-3-yl]piperidin e-1-carboxylate
  • MW: 525.64 | Formula: C28H39N5O5
  • H donors: 1 H acceptors: 4 LogP: 3.45 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(=O)N1CCC(CC1)NC(=O)c1cnn(c1C1CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1
  • InChi: 1S/C28H39N5O5/c1-5-37-26(35)31-17-13-21(14-18-31)30-25(34)23-19-29-33(22-9-7-6-8-10-22)24(23)20-11-15-32(16-12-20)27(36)38-28(2,3)4/h6-10,19-21H,5,11-18H2,1-4H3,(H,30,34)
  • InChiKey: HJKYCHAFQUAXDE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • tert-butyl 4-[4-[(1-ethoxycarbonyl-4-piperidyl)carbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate
  • 4-[4-[[(1-ethoxycarbonyl-4-piperidinyl)amino]-oxomethyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester
  • 4-[4-[(1-carbethoxy-4-piperidyl)carbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester
  • tert-butyl 4-[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate
  • NCGC00127213-01
  • E955-1286

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi intermediate filament protein 0.0033 0.0889 0.0873
Trypanosoma brucei fatty acid desaturase, putative 0.0211 1 1
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0017 0.0101 0.5
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0017 0.0101 0.5
Onchocerca volvulus 0.0211 1 1
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0017 0.0101 0.0093
Mycobacterium ulcerans electron transfer protein FdxB 0.0017 0.0101 0.5
Echinococcus multilocularis musashi 0.0033 0.0889 0.1135
Echinococcus granulosus Fatty acid desaturase type 1 0.0017 0.0101 0.0102
Echinococcus multilocularis lamin dm0 0.0033 0.0889 0.1135
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0017 0.0101 0.5
Onchocerca volvulus 0.0033 0.0889 0.0796
Schistosoma mansoni lamin 0.0033 0.0889 0.1051
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0017 0.0101 0.0093
Onchocerca volvulus 0.0211 1 1
Loa Loa (eye worm) fatty acid desaturase 0.0017 0.0101 0.0111
Echinococcus multilocularis lamin 0.0033 0.0889 0.1135
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0119 0.013
Trypanosoma cruzi fatty acid desaturase, putative 0.0194 0.9128 0.9119
Loa Loa (eye worm) fatty acid desaturase 0.0017 0.0101 0.0111
Onchocerca volvulus 0.0033 0.0889 0.0796
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0017 0.0101 0.0093
Schistosoma mansoni thyroid hormone receptor 0.0164 0.7602 1
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0017 0.0101 0.0102
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.698 0.9178
Brugia malayi acyl-CoA desaturase 0.0194 0.9128 1
Schistosoma mansoni hypothetical protein 0.0152 0.698 0.917
Loa Loa (eye worm) hypothetical protein 0.0016 0.003 0.0033
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0119 0.0019
Echinococcus granulosus intermediate filament protein 0.0033 0.0889 0.1236
Mycobacterium ulcerans hypothetical protein 0.0017 0.0101 0.5
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.0194 0.9128 0.5
Leishmania major fatty-acid desaturase, putative 0.0211 1 1
Plasmodium falciparum stearoyl-CoA desaturase 0.0194 0.9128 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.0211 1 1
Echinococcus granulosus lamin dm0 0.0033 0.0889 0.1236
Schistosoma mansoni thyroid hormone receptor 0.0164 0.7602 1
Mycobacterium ulcerans hypothetical protein 0.0017 0.0101 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0859 0.0941
Loa Loa (eye worm) FAT-3 protein 0.0017 0.0101 0.0111
Echinococcus granulosus lamin 0.0033 0.0889 0.1236
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.698 1
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0017 0.0101 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0889 0.0974
Loa Loa (eye worm) acyl-CoA desaturase 0.0194 0.9128 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.7602 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.0889 0.1051
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0017 0.0101 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.0194 0.9128 0.9119
Schistosoma mansoni lamin 0.0033 0.0889 0.1051
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0017 0.0101 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0889 0.0974
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0017 0.0101 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0889 0.0974
Mycobacterium tuberculosis Probable conserved membrane protein 0.0017 0.0101 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0889 0.0873
Loa Loa (eye worm) hypothetical protein 0.0017 0.0101 0.0111

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0032 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.122 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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