Detailed information for compound 1171118

Basic information

Technical information
  • TDR Targets ID: 1171118
  • Name: 3-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrazol e-1-carboxamide
  • MW: 331.729 | Formula: C16H11ClFN3O2
  • H donors: 1 H acceptors: 2 LogP: 3.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)F)Oc1ccc(cc1)c1ccn(n1)C(=O)N
  • InChi: 1S/C16H11ClFN3O2/c17-11-3-6-15(13(18)9-11)23-12-4-1-10(2-5-12)14-7-8-21(20-14)16(19)22/h1-9H,(H2,19,22)
  • InChiKey: ITAWDKBZOLCQET-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[4-(4-chloro-2-fluoro-phenoxy)phenyl]pyrazole-1-carboxamide
  • 3-[4-(4-chloro-2-fluorophenoxy)phenyl]-1-pyrazolecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sodium channel, voltage-gated, type IX, alpha subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania braziliensis calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania infantum calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus multilocularis sodium channel protein Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus granulosus sodium channel protein Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania major calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania donovani calcium channel protein, putative Get druggable targets OG5_126819 All targets in OG5_126819
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 thyroid hormone receptor 0.0012 0.0013 0.0038
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0013 0.0038
Schistosoma mansoni dihydropteridine reductase 0.0037 0.0488 0.141
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0552 1 1
Trypanosoma brucei oxidoreductase-like protein 0.0037 0.0488 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0013 0.0031
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0435 0.1258
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0037 0.0488 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0013 0.0031
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0013 0.0038
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0045 0.0634 0.1834
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0037 0.0488 0.0488
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0013 0.0031
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0037 0.0488 0.1148
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0037 0.0488 0.0488
Mycobacterium ulcerans short chain dehydrogenase 0.0037 0.0488 0.0488
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0552 1 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0037 0.0488 0.0488
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0013 0.0031
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0435 0.1258
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0013 0.0031
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0037 0.0488 0.141
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0031
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0045 0.0634 1
Onchocerca volvulus 0.0274 0.4864 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0013 0.0038
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0037 0.0488 1
Loa Loa (eye worm) retinol dehydrogenase 12 0.0037 0.0488 0.1148
Trypanosoma brucei pteridine reductase 1 0.0037 0.0488 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0031
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0013 0.0038
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0037 0.0488 0.0488
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0037 0.0488 0.0488
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0013 0.0031
Echinococcus multilocularis sodium channel protein 0.0045 0.0634 0.1834
Brugia malayi Pre-SET motif family protein 0.0241 0.4249 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0013 0.0038
Mycobacterium ulcerans short chain dehydrogenase 0.0037 0.0488 0.0488
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0552 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0037 0.0488 0.0488
Giardia lamblia Replication factor C, subunit 1 0.0011 0 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0013 0.0038
Mycobacterium ulcerans short chain dehydrogenase 0.0037 0.0488 0.0488
Mycobacterium ulcerans short chain dehydrogenase 0.0037 0.0488 0.0488
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0013 0.0038
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0037 0.0488 0.0488
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0435 0.1258
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0037 0.0488 0.0488
Mycobacterium ulcerans short chain dehydrogenase 0.0037 0.0488 0.0488
Echinococcus granulosus geminin 0.0198 0.346 1
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0013 0.0038
Brugia malayi nuclear receptor NHR-88 0.0012 0.0013 0.0031
Brugia malayi steroid hormone receptor 0.0012 0.0013 0.0031
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0013 0.0031
Echinococcus granulosus sodium channel protein 0.0045 0.0634 0.1834
Brugia malayi Pre-SET motif family protein 0.0035 0.0435 0.1025
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0037 0.0488 0.0488
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0013 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0013 0.0031
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0435 0.1258
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0037 0.0488 0.0488
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0013 0.0031
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0037 0.0488 0.0488
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0013 0.0038
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0552 1 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0037 0.0488 0.0488
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0031
Echinococcus multilocularis geminin 0.0198 0.346 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0031
Onchocerca volvulus 0.0037 0.0488 0.1003
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0013 0.0038
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0552 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0013 0.0031
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0013 0.0038
Plasmodium falciparum enoyl-acyl carrier reductase 0.0552 1 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0037 0.0488 0.0488
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0013 0.0038
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0013 0.0038
Loa Loa (eye worm) oxidoreductase 0.0037 0.0488 0.1148
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0013 0.0038
Onchocerca volvulus 0.0037 0.0488 0.1003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0013 0.0031
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0037 0.0488 0.0488
Loa Loa (eye worm) hypothetical protein 0.0035 0.0435 0.1025
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0013 0.0038
Schistosoma mansoni hypothetical protein 0.0198 0.346 1
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0037 0.0488 0.141
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0037 0.0488 0.0488
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0013 0.0031
Chlamydia trachomatis oxoacy-ACP reductase 0.0037 0.0488 0.0488
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0552 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0241 0.4249 1
Mycobacterium ulcerans short chain dehydrogenase 0.0037 0.0488 0.0488
Mycobacterium ulcerans short chain dehydrogenase 0.0037 0.0488 0.0488
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0037 0.0488 0.0488
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0435 0.1258
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0031
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0037 0.0488 0.1148
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0013 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0013 0.0031
Onchocerca volvulus 0.0012 0.0013 0.0027
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0013 0.0038
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0013 0.0038
Plasmodium vivax SET domain protein, putative 0.0035 0.0435 0.0435
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0013 0.0027
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0037 0.0488 0.0488
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0013 0.0031
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0013 0.0038
Brugia malayi ecdysteroid receptor 0.0012 0.0013 0.0031
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0013 0.0038
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0031
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0435 0.1258
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0013 0.0038
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0013 0.0038
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0435 0.1258
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0037 0.0488 0.0488
Mycobacterium ulcerans short chain dehydrogenase 0.0037 0.0488 0.0488
Trichomonas vaginalis hypothetical protein 0.0552 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0037 0.0488 0.0488
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0412 0.1191
Schistosoma mansoni coup transcription factor 0.0012 0.0013 0.0038
Trichomonas vaginalis set domain proteins, putative 0.0274 0.4864 0.4864
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0013 0.0038
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0013 0.0038
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0037 0.0488 0.1148
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0013 0.0038
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0037 0.0488 0.0488
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0013 0.0038
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0037 0.0488 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0013 0.0038
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0013 0.0031
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0037 0.0488 0.141
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0013 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0013 0.0031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0037 0.0488 0.0488
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0013 0.0031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0037 0.0488 0.0488
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0013 0.0038
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0037 0.0488 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0013 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0013 0.0031
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0037 0.0488 0.0488
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0013 0.0038
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0037 0.0488 0.0488
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0013 0.0031
Mycobacterium ulcerans short chain dehydrogenase 0.0037 0.0488 0.0488
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0435 0.0435
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0037 0.0488 0.0488
Schistosoma mansoni hypothetical protein 0.0198 0.346 1
Onchocerca volvulus 0.0035 0.0435 0.0895
Brugia malayi nuclear hormone receptor 0.0012 0.0013 0.0031
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0013 0.0027
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0037 0.0488 1
Mycobacterium ulcerans oxidoreductase 0.0037 0.0488 0.0488
Mycobacterium ulcerans short chain dehydrogenase 0.0037 0.0488 0.0488
Treponema pallidum DNA ligase (lig) 0.0011 0 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0037 0.0488 0.0488
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0013 0.0031
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0037 0.0488 0.0488
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0013 0.0038
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0031
Loa Loa (eye worm) hypothetical protein 0.0037 0.0488 0.1148
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0013 0.0027

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.013 uM Inhibition of human Nav 1.7 channel by electrophysiology ChEMBL. 20709545

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

1 literature reference was collected for this gene.

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