Detailed information for compound 1840902

Basic information

Technical information
  • TDR Targets ID: 1840902
  • Name: 1-(3-methylphenyl)-5-phenylpyrazole-3-carboxy lic acid
  • MW: 278.305 | Formula: C17H14N2O2
  • H donors: 1 H acceptors: 3 LogP: 3.78 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)n1nc(cc1c1ccccc1)C(=O)O
  • InChi: 1S/C17H14N2O2/c1-12-6-5-9-14(10-12)19-16(11-15(18-19)17(20)21)13-7-3-2-4-8-13/h2-11H,1H3,(H,20,21)
  • InChiKey: XDKDJRWOHMIRGN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3-methylphenyl)-5-phenyl-pyrazole-3-carboxylic acid
  • 1-(3-methylphenyl)-5-phenyl-3-pyrazolecarboxylic acid
  • Oprea1_112599

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens replication protein A1, 70kDa Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus replication protein A 70 kDa DNA binding Get druggable targets OG5_127539 All targets in OG5_127539
Neospora caninum hypothetical protein Get druggable targets OG5_127539 All targets in OG5_127539
Trypanosoma cruzi Replication factor A protein 1 Get druggable targets OG5_127539 All targets in OG5_127539
Babesia bovis replication factor-a protein 1 (rpa1) family protein Get druggable targets OG5_127539 All targets in OG5_127539
Plasmodium vivax replication protein A1, large subunit, putative Get druggable targets OG5_127539 All targets in OG5_127539
Plasmodium falciparum replication protein A1, large subunit Get druggable targets OG5_127539 All targets in OG5_127539
Leishmania braziliensis replication factor A, 51kDa subunit, putative Get druggable targets OG5_127539 All targets in OG5_127539
Trichomonas vaginalis replication factor A 1, rfa1, putative Get druggable targets OG5_127539 All targets in OG5_127539
Trichomonas vaginalis replication factor A 1, rfa1, putative Get druggable targets OG5_127539 All targets in OG5_127539
Schistosoma japonicum ko:K07466 replication factor A1, putative Get druggable targets OG5_127539 All targets in OG5_127539
Leishmania major replication factor A, 51kDa subunit, putative Get druggable targets OG5_127539 All targets in OG5_127539
Trypanosoma brucei Replication factor A protein 1 Get druggable targets OG5_127539 All targets in OG5_127539
Plasmodium yoelii putative replication A protein Get druggable targets OG5_127539 All targets in OG5_127539
Cryptosporidium parvum Rf-A (OB fold protein) Get druggable targets OG5_127539 All targets in OG5_127539
Trichomonas vaginalis replication factor A 1, rfa1, putative Get druggable targets OG5_127539 All targets in OG5_127539
Cryptosporidium hominis replication protein A 70kDa Get druggable targets OG5_127539 All targets in OG5_127539
Loa Loa (eye worm) replication factor A 73 kDa subunit Get druggable targets OG5_127539 All targets in OG5_127539
Trypanosoma brucei gambiense replication factor A, 51kDa subunit, putative Get druggable targets OG5_127539 All targets in OG5_127539
Onchocerca volvulus Putative replication factor A 73 kDa subunit Get druggable targets OG5_127539 All targets in OG5_127539
Toxoplasma gondii replication factor-a protein 1 (rpa1) subfamily protein Get druggable targets OG5_127539 All targets in OG5_127539
Theileria parva replication factor A protein, putative Get druggable targets OG5_127539 All targets in OG5_127539
Plasmodium berghei replication protein A1, large subunit, putative Get druggable targets OG5_127539 All targets in OG5_127539
Brugia malayi replication factor A 73 kDa subunit Get druggable targets OG5_127539 All targets in OG5_127539
Leishmania infantum replication factor A, 51kDa subunit, putative Get druggable targets OG5_127539 All targets in OG5_127539
Leishmania donovani Replication factor A protein 1 Get druggable targets OG5_127539 All targets in OG5_127539
Trypanosoma congolense Replication factor A protein 1 Get druggable targets OG5_127539 All targets in OG5_127539
Echinococcus multilocularis replication protein A 70 kDa DNA binding Get druggable targets OG5_127539 All targets in OG5_127539
Plasmodium knowlesi replication protein A1, large subunit, putative Get druggable targets OG5_127539 All targets in OG5_127539
Candida albicans similar to single-stranded DNA binding protein involved in DNA-damage repair Get druggable targets OG5_127539 All targets in OG5_127539
Candida albicans similar to single-stranded DNA binding protein involved in DNA-damage repair Get druggable targets OG5_127539 All targets in OG5_127539
Schistosoma mansoni replication factor A 1 rfa1 Get druggable targets OG5_127539 All targets in OG5_127539
Entamoeba histolytica replication factor A protein 1, putative Get druggable targets OG5_127539 All targets in OG5_127539
Trichomonas vaginalis replication factor A 1, rfa1, putative Get druggable targets OG5_127539 All targets in OG5_127539
Leishmania mexicana replication factor A, 51kDa subunit, putative Get druggable targets OG5_127539 All targets in OG5_127539
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
Schistosoma mansoni plexin 0.0092 0.4615 0.4885
Brugia malayi Sema domain containing protein 0.0066 0.3142 0.2348
Onchocerca volvulus 0.0066 0.3142 0.2346
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0029 0.1038 0.3936
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.1038 0.3936
Loa Loa (eye worm) hypothetical protein 0.0158 0.8359 0.8169
Echinococcus multilocularis hypothetical protein 0.0066 0.3142 0.2348
Schistosoma mansoni replication factor A 1 rfa1 0.0042 0.1795 0.1034
Loa Loa (eye worm) hypothetical protein 0.0092 0.4615 0.3991
Entamoeba histolytica hypothetical protein 0.0029 0.1038 0.5816
Schistosoma mansoni hypothetical protein 0.0066 0.3142 0.2874
Echinococcus granulosus plexin a4 0.0187 1 1
Plasmodium falciparum replication protein A1, large subunit 0.002 0.0547 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0029 0.1038 0.3936
Loa Loa (eye worm) hypothetical protein 0.0066 0.3142 0.2348
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0029 0.1038 0.3936
Echinococcus multilocularis plexin a4 0.0187 1 1
Plasmodium vivax replication protein A1, large subunit, putative 0.002 0.0547 0.5
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.004 0.1677 0.9053
Leishmania major replication factor A, 51kDa subunit, putative 0.002 0.0547 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.1038 0.3936
Loa Loa (eye worm) hypothetical protein 0.0066 0.3142 0.2348
Trypanosoma cruzi Replication factor A protein 1 0.002 0.0547 0.5
Brugia malayi hypothetical protein 0.0066 0.3142 0.2348
Loa Loa (eye worm) sema domain-containing protein 0.0066 0.3142 0.2348
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0042 0.1795 1
Schistosoma mansoni hypothetical protein 0.0066 0.3142 0.2874
Schistosoma mansoni semaphorin 5-related 0.0066 0.3142 0.2874
Schistosoma mansoni plexin 0.0158 0.8359 1
Entamoeba histolytica hypothetical protein 0.0029 0.1038 0.5816
Loa Loa (eye worm) hypothetical protein 0.0066 0.3142 0.2348
Brugia malayi replication factor A 73 kDa subunit 0.0042 0.1795 0.0845
Loa Loa (eye worm) hypothetical protein 0.0066 0.3142 0.2348
Brugia malayi Plexin repeat family protein 0.0158 0.8359 0.8169
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.1038 0.3936
Brugia malayi hypothetical protein 0.0066 0.3142 0.2348
Schistosoma mansoni hypothetical protein 0.0092 0.4615 0.4885
Brugia malayi Sema domain containing protein 0.0066 0.3142 0.2348
Loa Loa (eye worm) sema domain-containing protein 0.0066 0.3142 0.2348
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0042 0.1795 1
Echinococcus granulosus semaphorin 1A 0.0066 0.3142 0.2348
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.1038 0.3936
Echinococcus granulosus semaphorin 5B 0.0066 0.3142 0.2348
Loa Loa (eye worm) plexin A 0.0187 1 1
Echinococcus multilocularis semaphorin 5B 0.0066 0.3142 0.2348
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0029 0.1038 0.3936
Entamoeba histolytica hypothetical protein 0.0029 0.1038 0.5816
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.1038 0.3936
Trypanosoma brucei Replication factor A protein 1 0.002 0.0547 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0029 0.1038 0.3936
Entamoeba histolytica hypothetical protein 0.0029 0.1038 0.5816
Loa Loa (eye worm) hypothetical protein 0.0066 0.3142 0.2348
Entamoeba histolytica protein kinase domain containing protein 0.0037 0.1477 1
Echinococcus multilocularis replication protein A 70 kDa DNA binding 0.0042 0.1795 0.0845
Onchocerca volvulus 0.0158 0.8359 1
Entamoeba histolytica cell surface protease gp63, putative 0.0029 0.1038 0.5816
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.1038 0.3936
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.1038 0.3936
Echinococcus granulosus replication protein A 70 kDa DNA binding 0.0042 0.1795 0.0845
Toxoplasma gondii replication factor-a protein 1 (rpa1) subfamily protein 0.002 0.0547 1
Entamoeba histolytica tyrosin kinase, putative 0.0037 0.1477 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.3142 0.2348
Loa Loa (eye worm) replication factor A 73 kDa subunit 0.0042 0.1795 0.0845

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) > 500 nM Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisotropy assay ChEMBL. 25699140
Kd (binding) = 580 nM Binding affinity to RPA70N protein (unknown origin) by HSQC NMR-based titration method ChEMBL. 25699140
Kd (binding) = 580 uM Binding affinity to RPA70N (1 to 120) site1 (unknown origin) expressed in Escherichia coli BL21-DE3 cells by NMR spectroscopy ChEMBL. 24147804
Kd (binding) > 2000 uM Binding affinity to RPA70N (1 to 120) site2 (unknown origin) expressed in Escherichia coli BL21-DE3 cells by NMR spectroscopy ChEMBL. 24147804

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

2 literature references were collected for this gene.

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