Detailed information for compound 1345308

Basic information

Technical information
  • TDR Targets ID: 1345308
  • Name: 1-(4-acetamido-5-methyl-2-phenylpyrazol-3-yl) -N-(2-chloro-4-methylphenyl)piperidine-4-carb oxamide
  • MW: 465.975 | Formula: C25H28ClN5O2
  • H donors: 2 H acceptors: 3 LogP: 4.25 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1c(C)nn(c1N1CCC(CC1)C(=O)Nc1ccc(cc1Cl)C)c1ccccc1
  • InChi: 1S/C25H28ClN5O2/c1-16-9-10-22(21(26)15-16)28-24(33)19-11-13-30(14-12-19)25-23(27-18(3)32)17(2)29-31(25)20-7-5-4-6-8-20/h4-10,15,19H,11-14H2,1-3H3,(H,27,32)(H,28,33)
  • InChiKey: MFWHSZCPGXGSCI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-acetamido-5-methyl-2-phenyl-pyrazol-3-yl)-N-(2-chloro-4-methyl-phenyl)piperidine-4-carboxamide
  • 1-(4-acetamido-5-methyl-2-phenyl-3-pyrazolyl)-N-(2-chloro-4-methylphenyl)-4-piperidinecarboxamide
  • 1-(4-acetamido-5-methyl-2-phenyl-pyrazol-3-yl)-N-(2-chloro-4-methyl-phenyl)isonipecotamide
  • G785-0088
  • NCGC00134096-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic 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 japonicum ko:K07611 lamin, putative 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 lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament 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 Lamin-C, 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
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament 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 Intermediate filament protein ifa-1, putative 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis 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
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
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Echinococcus granulosus lamin 0.0033 0.4692 0.5335
Onchocerca volvulus 0.0033 0.4692 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.5371 0.5371
Entamoeba histolytica hypothetical protein 0.0037 0.5929 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.8794 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.8794 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.8794 1
Loa Loa (eye worm) hypothetical protein 0.0051 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.8794 1
Echinococcus granulosus intermediate filament protein 0.0033 0.4692 0.5335
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.5929 0.6742
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.5929 0.6742
Schistosoma mansoni lamin 0.0033 0.4692 0.5335
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.8794 1
Entamoeba histolytica hypothetical protein 0.0037 0.5929 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0364 0.0364
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.8794 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.4692 0.4692
Echinococcus granulosus lamin dm0 0.0033 0.4692 0.5335
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.8794 0.8794
Schistosoma mansoni hypothetical protein 0.0035 0.5371 0.6108
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0364 0.0364
Entamoeba histolytica hypothetical protein 0.0037 0.5929 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.5929 0.5
Echinococcus multilocularis lamin 0.0033 0.4692 0.5335
Onchocerca volvulus 0.0033 0.4692 0.5
Schistosoma mansoni lamin 0.0033 0.4692 0.5335
Schistosoma mansoni hypothetical protein 0.0037 0.5929 0.6742
Loa Loa (eye worm) hypothetical protein 0.0032 0.4521 0.4521
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.8794 0.8794
Loa Loa (eye worm) intermediate filament protein 0.0033 0.4692 0.4692
Echinococcus multilocularis musashi 0.0033 0.4692 0.5335
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.5929 0.6742
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.4692 0.4692
Brugia malayi hypothetical protein 0.0037 0.5929 0.5929
Echinococcus multilocularis lamin dm0 0.0033 0.4692 0.5335
Loa Loa (eye worm) hypothetical protein 0.0033 0.4692 0.4692
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.8794 1
Brugia malayi intermediate filament protein 0.0033 0.4692 0.4692
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.5371 0.5371
Schistosoma mansoni intermediate filament proteins 0.0033 0.4692 0.5335

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

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