Detailed information for compound 1317842

Basic information

Technical information
  • TDR Targets ID: 1317842
  • Name: 1-(2,4-dichlorophenyl)-3,5-dimethylpyrazole-4 -carboxylic acid
  • MW: 285.126 | Formula: C12H10Cl2N2O2
  • H donors: 1 H acceptors: 3 LogP: 3.47 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)n1nc(c(c1C)C(=O)O)C
  • InChi: 1S/C12H10Cl2N2O2/c1-6-11(12(17)18)7(2)16(15-6)10-4-3-8(13)5-9(10)14/h3-5H,1-2H3,(H,17,18)
  • InChiKey: XNEFWSFWNJXULJ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(2,4-dichlorophenyl)-3,5-dimethyl-pyrazole-4-carboxylic acid
  • 1-(2,4-dichlorophenyl)-3,5-dimethyl-4-pyrazolecarboxylic acid
  • 10X-0860
  • 1-(2,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
  • MLS000736236
  • SMR000338486

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
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
Echinococcus granulosus cytoplasmic intermediate filament protein 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 multilocularis lamin dm0 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
Onchocerca volvulus 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
Echinococcus multilocularis musashi 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 lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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 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 intermediate filament proteins 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin 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 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
Brugia malayi Intermediate filament tail domain containing protein 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
Loa Loa (eye worm) hypothetical 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
Loa Loa (eye worm) hypothetical protein 0.0033 0.0118 0.0118
Leishmania major trypanothione reductase 0.1301 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0118 0.0118
Loa Loa (eye worm) thioredoxin reductase 0.1301 1 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0451 0.3376 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0451 0.3376 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0451 0.3376 0.2803
Echinococcus multilocularis thioredoxin glutathione reductase 0.1301 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0451 0.3376 0.2803
Schistosoma mansoni glutamate synthase 0.012 0.0796 0.0687
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.012 0.0796 0.0687
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0451 0.3376 0.2803
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.012 0.0796 0.0687
Plasmodium vivax thioredoxin reductase, putative 0.1301 1 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0451 0.3376 0.2803
Loa Loa (eye worm) programmed cell death 8 0.012 0.0796 0.0796
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0451 0.3376 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0451 0.3376 0.3297
Onchocerca volvulus 0.012 0.0796 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0451 0.3376 0.2803
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.012 0.0796 0.0796
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0331 0.2444 0.2444
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0451 0.3376 0.2803
Loa Loa (eye worm) hypothetical protein 0.0032 0.0113 0.0113
Mycobacterium tuberculosis Probable oxidoreductase 0.0451 0.3376 0.2803
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0451 0.3376 0.2803
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0451 0.3376 0.2803
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0451 0.3376 1
Schistosoma mansoni hypothetical protein 0.012 0.0796 0.0687
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.012 0.0796 0.0687
Schistosoma mansoni sulfide quinone reductase 0.012 0.0796 0.0687
Trichomonas vaginalis glutathione reductase, putative 0.0451 0.3376 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0451 0.3376 0.2803
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.012 0.0796 0.0687
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0451 0.3376 0.2803
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.012 0.0796 0.5
Loa Loa (eye worm) glutathione reductase 0.1301 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0451 0.3376 0.2803
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0331 0.2444 0.2444
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0451 0.3376 0.2803
Echinococcus granulosus glutamate synthase 0.012 0.0796 0.0687
Entamoeba histolytica glutamate synthase beta subunit, putative 0.012 0.0796 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0451 0.3376 0.2803
Brugia malayi Thioredoxin reductase 0.1301 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.012 0.0796 0.0687
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0451 0.3376 0.2803
Treponema pallidum NADH oxidase 0.0451 0.3376 1
Entamoeba histolytica glutamate synthase beta subunit, putative 0.012 0.0796 0.5
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.012 0.0796 0.0687
Plasmodium falciparum glutathione reductase 0.0451 0.3376 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0451 0.3376 1
Trypanosoma brucei trypanothione reductase 0.1301 1 1
Toxoplasma gondii thioredoxin reductase 0.1301 1 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0451 0.3376 1
Schistosoma mansoni sulfide quinone reductase 0.012 0.0796 0.0687
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.012 0.0796 0.0796
Plasmodium falciparum thioredoxin reductase 0.1301 1 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0451 0.3376 0.3376
Plasmodium falciparum glutathione reductase 0.1301 1 1
Toxoplasma gondii NADPH-glutathione reductase 0.0451 0.3376 0.2803
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0451 0.3376 1
Schistosoma mansoni disulfide oxidoreductase 0.012 0.0796 0.0687
Trypanosoma cruzi trypanothione reductase, putative 0.0451 0.3376 0.2803
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.012 0.0796 0.0687
Giardia lamblia NADH oxidase lateral transfer candidate 0.0451 0.3376 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0451 0.3376 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.012 0.0796 0.0796
Echinococcus granulosus thioredoxin glutathione reductase 0.1301 1 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0451 0.3376 0.2803
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0451 0.3376 0.2803
Schistosoma mansoni glutamate synthase 0.012 0.0796 0.0687
Schistosoma mansoni glutamate synthase 0.012 0.0796 0.0687
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.012 0.0796 0.0796
Trichomonas vaginalis mercuric reductase, putative 0.0451 0.3376 1
Entamoeba histolytica thioredoxin reductase, putative 0.012 0.0796 0.5
Brugia malayi intermediate filament protein 0.0033 0.0118 0.0118
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.012 0.0796 0.0687
Entamoeba histolytica disulphide oxidoreductase, putative 0.012 0.0796 0.5
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0451 0.3376 0.2803
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.012 0.0796 0.0687
Plasmodium falciparum thioredoxin reductase 0.0451 0.3376 0.2803
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0451 0.3376 0.2803
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0118 0.0118
Echinococcus granulosus sulfide:quinone oxidoreductase 0.012 0.0796 0.0687
Brugia malayi glutamate synthase 0.012 0.0796 0.0796
Plasmodium vivax glutathione reductase, putative 0.1301 1 1
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.012 0.0796 0.5
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.012 0.0796 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0451 0.3376 0.2803
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0118 0.0118
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.1301 1 1
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.012 0.0796 0.0687
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0451 0.3376 0.2803
Trypanosoma cruzi trypanothione reductase, putative 0.1301 1 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0451 0.3376 0.3297
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0451 0.3376 0.3297
Echinococcus multilocularis glutamate synthase 0.012 0.0796 0.0687
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0451 0.3376 0.2803
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.012 0.0796 0.0687
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0451 0.3376 1
Loa Loa (eye worm) hypothetical protein 0.012 0.0796 0.0796
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0451 0.3376 0.2803

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.1189 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 Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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
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

Species name Source Reference Is orphan
Plasmodium falciparum 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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