Detailed information for compound 1364260

Basic information

Technical information
  • TDR Targets ID: 1364260
  • Name: 4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazol e
  • MW: 305.986 | Formula: C10H7BrCl2N2
  • H donors: 0 H acceptors: 1 LogP: 3.77 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cnn(c1)Cc1c(Cl)cccc1Cl
  • InChi: 1S/C10H7BrCl2N2/c11-7-4-14-15(5-7)6-8-9(12)2-1-3-10(8)13/h1-5H,6H2
  • InChiKey: ZJOPOPNUYISZPN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-bromo-1-(2,6-dichlorobenzyl)pyrazole
  • ZINC01059469
  • 4-bromo-1-(2,6-dichlorobenzyl)-1H-pyrazole
  • MLS000539273
  • SMR000144910

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0287 1 1
Brugia malayi Carboxyl transferase domain containing protein 0.0277 0.9595 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0287 1 1
Schistosoma mansoni acetyl-CoA carboxylase 0.0287 1 1
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0109 0.2839 1
Trypanosoma brucei acetyl-CoA carboxylase 0.0287 1 1
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0109 0.2839 1
Leishmania major carboxylase, putative 0.0109 0.2839 0.2839
Chlamydia trachomatis biotin carboxylase 0.0099 0.2433 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1157 0.1157
Trypanosoma cruzi acetyl-CoA carboxylase 0.0177 0.5594 1
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.1157 0.0644
Trypanosoma brucei unspecified product 0.0072 0.1329 0.1329
Trypanosoma brucei RNA helicase, putative 0.0099 0.241 0.241
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0109 0.2839 0.2839
Schistosoma mansoni pyruvate carboxylase 0.0109 0.2839 0.2839
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0207 0.6803 0.5
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0109 0.2839 0.2839
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1157 0.1157
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0109 0.2839 0.2839
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1157 0.1157
Loa Loa (eye worm) TAR-binding protein 0.0067 0.1157 0.0644
Brugia malayi RNA binding protein 0.0067 0.1157 0.0644
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0207 0.6803 0.5
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0109 0.2839 0.5074
Leishmania major acetyl-CoA carboxylase, putative 0.0287 1 1
Echinococcus granulosus tar DNA binding protein 0.0067 0.1157 0.1157
Mycobacterium ulcerans pyruvate carboxylase 0.0109 0.2839 1
Echinococcus multilocularis tar DNA binding protein 0.0067 0.1157 0.1157
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0109 0.2839 0.2839
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0109 0.2839 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0109 0.2839 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0109 0.2839 0.2839
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0049 0.0405 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1157 0.1157
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0049 0.0405 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.3568 0.3317
Loa Loa (eye worm) RNA binding protein 0.0067 0.1157 0.0644
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0109 0.2839 1
Brugia malayi MH2 domain containing protein 0.0127 0.3568 0.3317
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1157 0.1157
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0277 0.9595 1
Schistosoma mansoni hypothetical protein 0.0099 0.241 0.241
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.1157 0.0644
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0109 0.2839 0.2839
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0109 0.2839 1
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0287 1 1
Brugia malayi TAR-binding protein 0.0067 0.1157 0.0644
Toxoplasma gondii pyruvate carboxylase 0.0109 0.2839 0.2839
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0109 0.2839 1
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.3568 0.3317
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0109 0.2839 0.5074
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0109 0.2839 0.2839

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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.