Detailed information for compound 1448762

Basic information

Technical information
  • TDR Targets ID: 1448762
  • Name: 5-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole -3-carboxylic acid
  • MW: 312.75 | Formula: C17H13ClN2O2
  • H donors: 1 H acceptors: 3 LogP: 4.41 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)n1nc(cc1c1ccc(cc1)Cl)C(=O)O
  • InChi: 1S/C17H13ClN2O2/c1-11-2-8-14(9-3-11)20-16(10-15(19-20)17(21)22)12-4-6-13(18)7-5-12/h2-10H,1H3,(H,21,22)
  • InChiKey: CUHBVUBREUIUDP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(4-chlorophenyl)-1-(4-methylphenyl)-3-pyrazolecarboxylic acid
  • Oprea1_849215
  • 5-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
  • MLS000755192
  • SMR000338057
  • 4N-577S

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein phosphatase 1, catalytic subunit, alpha isozyme Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126821 All targets in OG5_126821
Candida albicans potential calcineurin-like phosphoesterase similar to S. cerevisiae GLC7 (YER133W) protein phosphatase involved in glycogen accu Get druggable targets OG5_126821 All targets in OG5_126821
Brugia malayi Serine/threonine protein phosphatase F56C9.1 in chromosomeIII Get druggable targets OG5_126821 All targets in OG5_126821
Echinococcus granulosus serine:threonine protein phosphatase PP1 gamma Get druggable targets OG5_126821 All targets in OG5_126821
Trichomonas vaginalis protein phosphatase-1, putative Get druggable targets OG5_126821 All targets in OG5_126821
Echinococcus granulosus protein phosphatase 1, catalytic subunit, beta isozyme Get druggable targets OG5_126821 All targets in OG5_126821
Echinococcus multilocularis serine:threonine protein phosphatase PP1 isozyme Get druggable targets OG5_126821 All targets in OG5_126821
Trichomonas vaginalis protein phosphatase, caeel, putative Get druggable targets OG5_126821 All targets in OG5_126821
Echinococcus granulosus serine:threonine protein phosphatase Get druggable targets OG5_126821 All targets in OG5_126821
Schistosoma japonicum ko:K06269 protein phosphatase 1, catalytic subunit, putative Get druggable targets OG5_126821 All targets in OG5_126821
Leishmania infantum serine/threonine protein phosphatase catalytic subunit, putative Get druggable targets OG5_126821 All targets in OG5_126821
Trichomonas vaginalis protein phosphatase 2A, caeel, putative Get druggable targets OG5_126821 All targets in OG5_126821
Trypanosoma cruzi serine/threonine protein phosphatase catalytic subunit, putative Get druggable targets OG5_126821 All targets in OG5_126821
Echinococcus multilocularis protein phosphatase 1 catalytic subunit Get druggable targets OG5_126821 All targets in OG5_126821
Candida albicans potential calcineurin-like phosphoesterase similar to S. cerevisiae GLC7 (YER133W) protein phosphatase involved in glycogen accu Get druggable targets OG5_126821 All targets in OG5_126821
Schistosoma mansoni protein phosphatase-1 Get druggable targets OG5_126821 All targets in OG5_126821
Plasmodium berghei serine/threonine protein phosphatase PP1 Get druggable targets OG5_126821 All targets in OG5_126821
Plasmodium falciparum serine/threonine protein phosphatase PP1 Get druggable targets OG5_126821 All targets in OG5_126821
Echinococcus multilocularis serine:threonine protein phosphatase PP1 gamma Get druggable targets OG5_126821 All targets in OG5_126821
Schistosoma mansoni protein phosphatase-1 Get druggable targets OG5_126821 All targets in OG5_126821
Schistosoma mansoni protein phosphatase type 1 Get druggable targets OG5_126821 All targets in OG5_126821
Entamoeba histolytica serine/threonine protein phosphatase PP1-2, putative Get druggable targets OG5_126821 All targets in OG5_126821
Echinococcus granulosus protein phosphatase 1 catalytic subunit Get druggable targets OG5_126821 All targets in OG5_126821
Babesia bovis Ser/Thr protein phosphatase family protein Get druggable targets OG5_126821 All targets in OG5_126821
Plasmodium knowlesi serine/threonine protein phosphatase PP1, putative Get druggable targets OG5_126821 All targets in OG5_126821
Leishmania mexicana serine/threonine protein phosphatase catalytic subunit, putative Get druggable targets OG5_126821 All targets in OG5_126821
Trypanosoma brucei gambiense serine/threonine protein phosphatase catalytic subunit, putative,serine/threonine protein phosphatase PP1-gamma Get druggable targets OG5_126821 All targets in OG5_126821
Trypanosoma brucei protein phosphatase 1, putative Get druggable targets OG5_126821 All targets in OG5_126821
Schistosoma mansoni protein phosphatase type 1 Get druggable targets OG5_126821 All targets in OG5_126821
Schistosoma japonicum ko:K06269 protein phosphatase 1, catalytic subunit, putative Get druggable targets OG5_126821 All targets in OG5_126821
Leishmania braziliensis serine/threonine protein phosphatase catalytic subunit, putative Get druggable targets OG5_126821 All targets in OG5_126821
Echinococcus multilocularis Serine threonine specific protein phosphatase bis(5 nucleosyl) tetraphosphatase Get druggable targets OG5_126821 All targets in OG5_126821
Echinococcus multilocularis Serine threonine specific protein phosphatase bis(5 nucleosyl) tetraphosphatase Get druggable targets OG5_126821 All targets in OG5_126821
Trichomonas vaginalis bsu-protein phosphatase, putative Get druggable targets OG5_126821 All targets in OG5_126821
Entamoeba histolytica serine/threonine protein phosphatase PP1-2, putative Get druggable targets OG5_126821 All targets in OG5_126821
Neospora caninum hypothetical protein Get druggable targets OG5_126821 All targets in OG5_126821
Brugia malayi Serine/threonine protein phosphatase PP1-beta catalytic subunit Get druggable targets OG5_126821 All targets in OG5_126821
Plasmodium vivax serine/threonine protein phosphatase PP1, putative Get druggable targets OG5_126821 All targets in OG5_126821
Plasmodium yoelii serine/threonine protein phosphatase alpha-3 isoform Get druggable targets OG5_126821 All targets in OG5_126821
Echinococcus multilocularis protein phosphatase 1 catalytic subunit Get druggable targets OG5_126821 All targets in OG5_126821
Toxoplasma gondii serine/threonine phosophatase PP1 Get druggable targets OG5_126821 All targets in OG5_126821
Leishmania major serine/threonine protein phosphatase catalytic subunit, putative Get druggable targets OG5_126821 All targets in OG5_126821
Schistosoma japonicum ko:K06269 protein phosphatase 1, catalytic subunit, putative Get druggable targets OG5_126821 All targets in OG5_126821
Echinococcus granulosus serine:threonine protein phosphatase PP1 gamma Get druggable targets OG5_126821 All targets in OG5_126821
Leishmania donovani serine/threonine protein phosphatase catalytic subunit, putative Get druggable targets OG5_126821 All targets in OG5_126821
Trichomonas vaginalis serine/threonine protein phosphatase, putative Get druggable targets OG5_126821 All targets in OG5_126821
Echinococcus multilocularis serine:threonine protein phosphatase PP1 gamma Get druggable targets OG5_126821 All targets in OG5_126821
Cryptosporidium parvum serine/threonine protein phosphatase, putative Get druggable targets OG5_126821 All targets in OG5_126821
Giardia lamblia Ser/Thr protein phosphatase PP1-alpha 2 catalytic subunit Get druggable targets OG5_126821 All targets in OG5_126821
Trichomonas vaginalis serine/threonine protein phosphatase, putative Get druggable targets OG5_126821 All targets in OG5_126821
Echinococcus multilocularis serine:threonine protein phosphatase PP1 beta Get druggable targets OG5_126821 All targets in OG5_126821
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126821 All targets in OG5_126821
Trichomonas vaginalis bsu-protein phosphatase, putative Get druggable targets OG5_126821 All targets in OG5_126821
Giardia lamblia Phosphatase Get druggable targets OG5_126821 All targets in OG5_126821
Echinococcus granulosus protein phosphatase 1 catalytic subunit Get druggable targets OG5_126821 All targets in OG5_126821
Echinococcus granulosus serine:threonine protein phosphatase PP1 beta Get druggable targets OG5_126821 All targets in OG5_126821
Loa Loa (eye worm) serine/threonine-protein phosphatase PP1-beta Get druggable targets OG5_126821 All targets in OG5_126821
Theileria parva serine/threonine protein phosphatase, putative Get druggable targets OG5_126821 All targets in OG5_126821
Trypanosoma congolense protein phosphatase 1, putative Get druggable targets OG5_126821 All targets in OG5_126821
Loa Loa (eye worm) serine/threonine protein phosphatase PP1-beta catalytic subunit Get druggable targets OG5_126821 All targets in OG5_126821
Trichomonas vaginalis bsu-protein phosphatase, putative Get druggable targets OG5_126821 All targets in OG5_126821
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum protein phosphatase containing kelch-like domains protein phosphatase 1, catalytic subunit, alpha isozyme 341 aa 331 aa 41.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni protein phosphatase type 1 0.0012 0.08 0.08
Loa Loa (eye worm) hypothetical protein 0.0036 0.5322 1
Trichomonas vaginalis protein phosphatase-1, putative 0.0012 0.08 0.08
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0026 0.3366 0.3366
Trypanosoma cruzi Valosin-containing protein, putative 0.0059 0.9418 1
Trichomonas vaginalis bsu-protein phosphatase, putative 0.0012 0.08 0.08
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0062 1 1
Trichomonas vaginalis bsu-protein phosphatase, putative 0.0012 0.08 0.08
Brugia malayi vesicle-fusing ATPase 0.0036 0.5322 1
Brugia malayi valosin containing protein 0.0036 0.5322 1
Plasmodium vivax cell division cycle ATPase, putative 0.0023 0.2783 0.2302
Trichomonas vaginalis bsu-protein phosphatase, putative 0.0012 0.08 0.08
Trichomonas vaginalis protein phosphatase, caeel, putative 0.0012 0.08 0.08
Loa Loa (eye worm) VCP protein 0.0026 0.3366 0.6324
Trypanosoma cruzi serine/threonine protein phosphatase catalytic subunit, putative 0.0012 0.08 0.085
Schistosoma mansoni protein phosphatase-1 0.0012 0.08 0.08
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0062 1 1
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0062 1 0.5
Schistosoma mansoni protein phosphatase-1 0.0012 0.08 0.08
Loa Loa (eye worm) hypothetical protein 0.0012 0.08 0.1503
Entamoeba histolytica cdc48-like protein, putative 0.0059 0.9418 1
Toxoplasma gondii cell division protein CDC48CY 0.0062 1 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0062 1 1
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0059 0.9418 1
Trichomonas vaginalis serine/threonine protein phosphatase, putative 0.0012 0.08 0.08
Trichomonas vaginalis proteasome-activating nucleotidase, putative 0.0015 0.1362 0.1362
Toxoplasma gondii cell division protein CDC48AP 0.0037 0.5458 0.5063
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0059 0.9418 1
Mycobacterium ulcerans ATPase 0.0037 0.5458 0.5
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0059 0.9418 1
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0026 0.3366 0.2789
Mycobacterium tuberculosis Putative conserved ATPase 0.0037 0.5458 0.5
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0059 0.9418 0.9418
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.0026 0.3366 0.6324
Brugia malayi Serine/threonine protein phosphatase PP1-beta catalytic subunit 0.0012 0.08 0.1503
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.0037 0.5458 0.5063
Trypanosoma brucei protein phosphatase 1, putative 0.0012 0.08 0.085
Trypanosoma brucei Valosin-containing protein 0.0059 0.9418 1
Leishmania major serine/threonine protein phosphatase catalytic subunit, putative 0.0012 0.08 0.085
Loa Loa (eye worm) serine/threonine protein phosphatase PP1-beta catalytic subunit 0.0012 0.08 0.1503
Schistosoma mansoni protein phosphatase type 1 0.0012 0.08 0.08
Loa Loa (eye worm) vesicle-fusing ATPase 0.0036 0.5322 1
Giardia lamblia AAA family ATPase 0.0037 0.5458 1
Brugia malayi Serine/threonine protein phosphatase F56C9.1 in chromosomeIII 0.0012 0.08 0.1503
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.0059 0.9418 1
Trichomonas vaginalis 26S protease regulatory subunit S10b, putative 0.0015 0.1362 0.1362

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 9.647 um PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of Protein Phosphatase 1 (PP1). (Class of assay: confirmatory) [Related pubchem assays: 2034 (Summary (PP5 inhibitors)), 1987 (Primary screen (PP5 inhibitors)), 2235 (Screening assay (PP1 inhibitors in singlate))] ChEMBL. No reference
IC50 (binding) > 67.047 um PUBCHEM_BIOASSAY: Counterscreen for inhibitors of PP1: fluorescence-based biochemical high throughput dose response assay to identify inhibitors of Protein Phosphatase 5 (PP5). (Class of assay: confirmatory) [Related pubchem assays: 2034 (Summary (PP5 inhibitors)), 1987 (PP5 inhibitors in singlate), 2235 (PP1 inhibitors in singlate)] ChEMBL. No reference
Potency (functional) 0.0037 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) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 63.0957 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] 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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