Detailed information for compound 1202342

Basic information

Technical information
  • TDR Targets ID: 1202342
  • Name: N-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dio xopyrrolidin-1-yl)benzamide
  • MW: 421.672 | Formula: C18H14BrClN2O3
  • H donors: 0 H acceptors: 3 LogP: 3.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)CN(C(=O)c1ccccc1Cl)N1C(=O)CCC1=O
  • InChi: 1S/C18H14BrClN2O3/c19-13-7-5-12(6-8-13)11-21(22-16(23)9-10-17(22)24)18(25)14-3-1-2-4-15(14)20/h1-8H,9-11H2
  • InChiKey: DZKWRYRNICKKAN-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-bromophenyl)methyl]-2-chloro-N-(2,5-dioxo-1-pyrrolidinyl)benzamide
  • N-(4-bromobenzyl)-2-chloro-N-succinimido-benzamide
  • ZINC02891181
  • N-(4-bromobenzyl)-2-chloro-N-(2,5-dioxo-1-pyrrolidinyl)benzamide
  • STK265994
  • SMR000296987
  • MLS000679738

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055

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
Onchocerca volvulus Huntingtin homolog 0.0148 0.6438 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0112 0.3799 0.5
Echinococcus multilocularis lysosomal protective protein 0.0112 0.3799 0.3799
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0112 0.3799 0.5
Echinococcus multilocularis muscleblind protein 1 0.0151 0.6668 0.6668
Onchocerca volvulus 0.0114 0.3945 0.0551
Onchocerca volvulus Huntingtin homolog 0.0148 0.6438 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0112 0.3799 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.8 1
Brugia malayi hypothetical protein 0.0148 0.6438 0.6438
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0101 0.2993 0.2993
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.0112 0.3799 0.3799
Brugia malayi Muscleblind-like protein 0.0151 0.6668 0.6668
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0112 0.3799 0.4749
Loa Loa (eye worm) hypothetical protein 0.0151 0.6668 0.6668
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Echinococcus granulosus lysosomal protective protein 0.0112 0.3799 0.3799
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0112 0.3799 0.5
Echinococcus granulosus muscleblind protein 0.0151 0.6668 0.6668
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0112 0.3799 0.5
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0112 0.3799 0.4749
Loa Loa (eye worm) hypothetical protein 0.0148 0.6438 0.6438
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0112 0.3799 0.5
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0101 0.2993 0.2993
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0112 0.3799 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.6438 0.6438
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0112 0.3799 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.6668 0.6668
Loa Loa (eye worm) hypothetical protein 0.0112 0.3799 0.3799
Echinococcus multilocularis muscleblind protein 0.0151 0.6668 0.6668
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.8 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] 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.