Detailed information for compound 1458126

Basic information

Technical information
  • TDR Targets ID: 1458126
  • Name: N-[(2-chlorophenyl)methyl]-3,6-dimethyl-1-phe nylpyrazolo[5,4-b]pyridine-4-carboxamide
  • MW: 390.865 | Formula: C22H19ClN4O
  • H donors: 1 H acceptors: 3 LogP: 4.69 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C(=O)NCc2ccccc2Cl)c2c(n1)n(nc2C)c1ccccc1
  • InChi: 1S/C22H19ClN4O/c1-14-12-18(22(28)24-13-16-8-6-7-11-19(16)23)20-15(2)26-27(21(20)25-14)17-9-4-3-5-10-17/h3-12H,13H2,1-2H3,(H,24,28)
  • InChiKey: VTHABIMIMZBULV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(2-chlorophenyl)methyl]-3,6-dimethyl-1-phenyl-pyrazolo[5,4-b]pyridine-4-carboxamide
  • N-[(2-chlorophenyl)methyl]-3,6-dimethyl-1-phenyl-4-pyrazolo[5,4-b]pyridinecarboxamide
  • N-(2-chlorobenzyl)-3,6-dimethyl-1-phenyl-pyrazolo[5,4-b]pyridine-4-carboxamide
  • E981-0641
  • NCGC00127634-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.001 0.02 0.1041
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1433 0.204
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.001 0.02 0.1041
Onchocerca volvulus Subfamily M14A unassigned peptidase homolog 0.0057 0.1921 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1433 0.8306
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1433 0.5
Toxoplasma gondii flagellar/basal body protein 0.001 0.02 0.1159
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0161 0.5734 0.9158
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.001 0.02 0.1041
Entamoeba histolytica hypothetical protein 0.0043 0.1432 0.9129
Loa Loa (eye worm) hypothetical protein 0.0043 0.1433 0.204
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.001 0.02 0.1041
Echinococcus granulosus transient receptor potential cation channel 0.0164 0.5854 0.9643
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1568 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1432 0.2038
Schistosoma mansoni hypothetical protein 0.0043 0.1432 0.2038
Loa Loa (eye worm) hypothetical protein 0.0047 0.1565 0.2258
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1433 0.8283
Echinococcus granulosus subfamily M14A unassigned peptidase 0.0057 0.1921 0.2936
Loa Loa (eye worm) acetyltransferase 0.0175 0.6243 1
Entamoeba histolytica hypothetical protein 0.0043 0.1432 0.9129
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1433 0.8283
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.6064 1
Brugia malayi beta-lactamase family protein 0.0043 0.1433 0.204
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.001 0.02 0.1041
Plasmodium vivax hypothetical protein, conserved 0.001 0.02 0.1159
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.001 0.02 0.1041
Loa Loa (eye worm) hypothetical protein 0.0043 0.1433 0.204
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1433 1
Onchocerca volvulus 0.0043 0.1433 0.7162
Onchocerca volvulus 0.0057 0.1921 1
Brugia malayi hypothetical protein 0.0043 0.1432 0.2038
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1433 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1568 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.1433 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.6243 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.1433 0.204
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.6243 1
Brugia malayi beta-lactamase 0.0043 0.1433 0.204
Echinococcus multilocularis transient receptor potential cation channel 0.0165 0.5863 0.9372
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1433 0.2103
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.001 0.02 0.1041
Trichomonas vaginalis esterase, putative 0.0043 0.1433 0.8283
Toxoplasma gondii zinc carboxypeptidase, putative 0.001 0.02 0.1159
Mycobacterium ulcerans hypothetical protein 0.0043 0.1433 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.1725 1
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.001 0.02 0.1041
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1433 1
Onchocerca volvulus 0.0057 0.1921 1
Brugia malayi beta-lactamase family protein 0.0043 0.1433 0.204
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.001 0.02 0.1041
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.001 0.02 0.1041
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1433 0.204
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1432 0.2038
Onchocerca volvulus 0.0057 0.1921 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1433 0.204
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1433 0.8283
Mycobacterium ulcerans beta-lactamase 0.0043 0.1433 0.5
Toxoplasma gondii ABC1 family protein 0.0043 0.1433 0.8306
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1433 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1433 0.204
Loa Loa (eye worm) hypothetical protein 0.0043 0.1433 0.204
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1568 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.1725 1
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.6243 1
Schistosoma mansoni subfamily M14A unassigned peptidase (M14 family) 0.0057 0.1921 0.2849
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.1725 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1432 0.2101
Onchocerca volvulus 0.0043 0.1433 0.7162
Onchocerca volvulus 0.0057 0.1921 1
Leishmania major hypothetical protein, conserved 0.0043 0.1433 1
Echinococcus granulosus ankyrin repeat protein 0.0161 0.5734 0.9439
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.001 0.02 0.1041
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1433 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1433 0.204
Onchocerca volvulus 0.0043 0.1433 0.7162
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1433 0.8283
Entamoeba histolytica hypothetical protein 0.0043 0.1432 0.9129
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.1725 1
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.001 0.02 0.1159
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.1725 0.2601
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.1725 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1433 0.8283
Loa Loa (eye worm) hypothetical protein 0.0043 0.1433 0.204
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.001 0.02 0.1159
Loa Loa (eye worm) hypothetical protein 0.0043 0.1433 0.204
Mycobacterium ulcerans lipase LipD 0.0043 0.1433 0.5
Echinococcus multilocularis ankyrin repeat protein 0.0161 0.5734 0.9158
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1433 0.204
Entamoeba histolytica hypothetical protein 0.0043 0.1432 0.9129
Echinococcus multilocularis subfamily M14A unassigned peptidase 0.0057 0.1921 0.2849

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4611 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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.