Detailed information for compound 1411426

Basic information

Technical information
  • TDR Targets ID: 1411426
  • Name: 4-bromo-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)p iperazin-1-yl]acetyl]benzohydrazide
  • MW: 500.411 | Formula: C22H22BrN5O2S
  • H donors: 2 H acceptors: 3 LogP: 4.09 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(CN1CCN(CC1)c1scc(n1)c1ccccc1)NNC(=O)c1ccc(cc1)Br
  • InChi: 1S/C22H22BrN5O2S/c23-18-8-6-17(7-9-18)21(30)26-25-20(29)14-27-10-12-28(13-11-27)22-24-19(15-31-22)16-4-2-1-3-5-16/h1-9,15H,10-14H2,(H,25,29)(H,26,30)
  • InChiKey: FGANHKCDJMEQSO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-bromo-N'-[2-[4-(4-phenylthiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide
  • 4-bromo-N'-[1-oxo-2-[4-(4-phenyl-2-thiazolyl)-1-piperazinyl]ethyl]benzohydrazide
  • 4-bromo-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanoyl]benzohydrazide
  • 4-Bromo-benzoic acid N'-{2-[4-(4-phenyl-thiazol-2-yl)-piperazin-1-yl]-acetyl}-hydrazide
  • MLS000560279
  • SMR000173509
  • ASN 06588579

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi dUTP diphosphatase 0.0404 0.3736 1
Entamoeba histolytica hypothetical protein 0.0404 0.3736 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0404 0.3736 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0404 0.3736 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0404 0.3736 1
Mycobacterium tuberculosis Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase) 0.014 0.087 0.5
Mycobacterium ulcerans deoxyuridine 5'-triphosphate nucleotidohydrolase 0.014 0.087 0.5
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0404 0.3736 1
Echinococcus granulosus dUTP pyrophosphatase 0.0404 0.3736 0.5
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0404 0.3736 1
Mycobacterium ulcerans deoxycytidine triphosphate deaminase 0.014 0.087 0.5
Entamoeba histolytica hypothetical protein 0.0263 0.2212 0.4682
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0404 0.3736 1
Entamoeba histolytica hypothetical protein 0.0263 0.2212 0.4682
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0404 0.3736 0.5
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0404 0.3736 0.5
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0404 0.3736 0.5
Entamoeba histolytica hypothetical protein 0.0404 0.3736 1
Loa Loa (eye worm) dUTP diphosphatase 0.0404 0.3736 1
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.0404 0.3736 0.5
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.014 0.087 0.5
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0404 0.3736 1
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0404 0.3736 0.5
Wolbachia endosymbiont of Brugia malayi dUTPase 0.0404 0.3736 1
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0404 0.3736 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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.

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