Detailed information for compound 1264735

Basic information

Technical information
  • TDR Targets ID: 1264735
  • Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-4-phe nylpyrazolo[4,5-e]pyridin-6-one
  • MW: 363.84 | Formula: C21H18ClN3O
  • H donors: 0 H acceptors: 2 LogP: 3.86 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Cn1c(=O)cc(c2c1n(C)nc2C)c1ccccc1
  • InChi: 1S/C21H18ClN3O/c1-14-20-18(16-6-4-3-5-7-16)12-19(26)25(21(20)24(2)23-14)13-15-8-10-17(22)11-9-15/h3-12H,13H2,1-2H3
  • InChiKey: XZGAARKTWJOYHQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-4-phenyl-pyrazolo[4,5-e]pyridin-6-one
  • 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-4-phenyl-6-pyrazolo[4,5-e]pyridinone
  • 7-(4-chlorobenzyl)-1,3-dimethyl-4-phenyl-pyrazolo[4,5-e]pyridin-6-one
  • G334-0129
  • NCGC00130159-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni thyroid hormone receptor 0.0169 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0169 1 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0681 0.5
Schistosoma mansoni coup transcription factor 0.0169 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0169 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0169 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0169 1 1
Loa Loa (eye worm) hypothetical protein 0.0169 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0169 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0169 1 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0681 0.5
Loa Loa (eye worm) hypothetical protein 0.0169 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0169 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0169 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0169 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0169 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0169 1 1
Loa Loa (eye worm) hypothetical protein 0.0169 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0169 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0169 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0169 1 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0681 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0681 0.5
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0681 0.0681
Schistosoma mansoni retinoic acid receptor RXR 0.0169 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0169 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0169 1 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0681 0.0681
Schistosoma mansoni RAR-like nuclear receptor 0.0169 1 1
Brugia malayi nuclear receptor NHR-88 0.0169 1 1
Loa Loa (eye worm) hypothetical protein 0.0169 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0169 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0169 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0169 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0169 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0169 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0681 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0681 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0169 1 1
Brugia malayi Probable ClpP-like protease 0.0094 0.0681 0.0681
Echinococcus multilocularis FTZ F1 alpha 0.0169 1 1
Onchocerca volvulus 0.0169 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0169 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0169 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0169 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0169 1 1
Loa Loa (eye worm) hypothetical protein 0.0169 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0169 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0169 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0169 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0169 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0681 0.5
Schistosoma mansoni thyroid hormone receptor 0.0169 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0169 1 1
Loa Loa (eye worm) hypothetical protein 0.0169 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0169 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0169 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0169 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0169 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0681 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0169 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0169 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0681 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0681 0.5
Loa Loa (eye worm) hypothetical protein 0.0169 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0169 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0169 1 1
Brugia malayi nuclear hormone receptor 0.0169 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0169 1 1
Brugia malayi steroid hormone receptor 0.0169 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0169 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0169 1 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0681 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0169 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0169 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0169 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0169 1 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0169 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0169 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.0681 0.0681
Echinococcus multilocularis ecdysone induced protein 78C 0.0169 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0169 1 1
Echinococcus granulosus FTZ F1 alpha 0.0169 1 1
Schistosoma mansoni nuclear hormone receptor 0.0169 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0169 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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 (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 35.4813 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
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 56.2341 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

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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