Detailed information for compound 1380979

Basic information

Technical information
  • TDR Targets ID: 1380979
  • Name: 1-(4-acetamido-5-methyl-2-phenylpyrazol-3-yl) -N-[(2-chlorophenyl)methyl]piperidine-4-carbo xamide
  • MW: 465.975 | Formula: C25H28ClN5O2
  • H donors: 2 H acceptors: 3 LogP: 3.82 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1c(C)nn(c1N1CCC(CC1)C(=O)NCc1ccccc1Cl)c1ccccc1
  • InChi: 1S/C25H28ClN5O2/c1-17-23(28-18(2)32)25(31(29-17)21-9-4-3-5-10-21)30-14-12-19(13-15-30)24(33)27-16-20-8-6-7-11-22(20)26/h3-11,19H,12-16H2,1-2H3,(H,27,33)(H,28,32)
  • InChiKey: REFVINJODKIDAK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-acetamido-5-methyl-2-phenyl-pyrazol-3-yl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
  • 1-(4-acetamido-5-methyl-2-phenyl-3-pyrazolyl)-N-[(2-chlorophenyl)methyl]-4-piperidinecarboxamide
  • 1-(4-acetamido-5-methyl-2-phenyl-pyrazol-3-yl)-N-(2-chlorobenzyl)isonipecotamide
  • G785-0031
  • NCGC00134070-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 proteasome prosome macropain 0.0166 0.4959 0.8564
Brugia malayi Proteasome A-type and B-type family protein 0.0166 0.4959 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1232 0.1232
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0166 0.4959 0.5
Leishmania major proteasome beta 5 subunit, putative 0.0166 0.4959 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0161 0.4756 0.9591
Loa Loa (eye worm) hypothetical protein 0.0054 0.0273 0.055
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0537 0.0537
Plasmodium vivax proteasome subunit beta type-5, putative 0.0166 0.4959 0.5
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0273 0.0471
Onchocerca volvulus 0.0157 0.462 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0166 0.4959 0.4959
Loa Loa (eye worm) hypothetical protein 0.0157 0.462 0.9316
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1232 0.2484
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.4756 0.8214
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0166 0.4959 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0185 0.579 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0273 0.0471
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0166 0.4959 0.5
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0166 0.4959 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.1232 0.2484
Echinococcus granulosus tar DNA binding protein 0.0076 0.1232 0.2127
Schistosoma mansoni alpha-glucosidase 0.0138 0.382 0.382
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0166 0.4959 0.5
Brugia malayi hypothetical protein 0.0157 0.462 0.9316
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.4756 0.8214
Onchocerca volvulus 0.0093 0.1921 0.4158
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0273 0.0273
Echinococcus multilocularis proteasome (prosome, macropain) 0.0166 0.4959 0.8564
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0161 0.4756 0.9591
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0537 0.0928
Schistosoma mansoni alpha-glucosidase 0.0138 0.382 0.382
Mycobacterium ulcerans proteasome PrcB 0.0166 0.4959 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0273 0.0471
Toxoplasma gondii proteasome subunit beta type, putative 0.0166 0.4959 1
Plasmodium falciparum proteasome subunit beta type-5 0.0166 0.4959 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1232 0.1232
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0166 0.4959 0.5
Brugia malayi RNA binding protein 0.0076 0.1232 0.2484
Brugia malayi TAR-binding protein 0.0076 0.1232 0.2484
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0537 0.0928
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0166 0.4959 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1232 0.2127
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1232 0.2484
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0166 0.4959 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1232 0.1232
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1232 0.2484
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0273 0.055
Echinococcus granulosus lysosomal alpha glucosidase 0.0161 0.4756 0.8214
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0185 0.579 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1232 0.1232
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1232 0.1232
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0166 0.4959 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0273 0.0471
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0537 0.0537
Loa Loa (eye worm) MBCTL1 0.0054 0.0273 0.055

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with 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), 1476 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent))] 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.