Detailed information for compound 1455601

Basic information

Technical information
  • TDR Targets ID: 1455601
  • Name: N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimi dazol-5-yl)-4-fluoro-3-methylbenzenesulfonami de
  • MW: 434.484 | Formula: C20H23FN4O4S
  • H donors: 1 H acceptors: 3 LogP: 1.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1C)S(=O)(=O)Nc1cc2c(cc1N1CCOCC1)n(c(=O)n2C)C
  • InChi: 1S/C20H23FN4O4S/c1-13-10-14(4-5-15(13)21)30(27,28)22-16-11-18-19(24(3)20(26)23(18)2)12-17(16)25-6-8-29-9-7-25/h4-5,10-12,22H,6-9H2,1-3H3
  • InChiKey: NYODHJXIDZGZNA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,3-dimethyl-6-morpholino-2-oxo-benzimidazol-5-yl)-4-fluoro-3-methyl-benzenesulfonamide
  • N-(1,3-dimethyl-6-morpholino-2-oxo-5-benzimidazolyl)-4-fluoro-3-methylbenzenesulfonamide
  • 4-fluoro-N-(2-keto-1,3-dimethyl-6-morpholino-benzimidazol-5-yl)-3-methyl-benzenesulfonamide
  • N-(1,3-dimethyl-6-morpholin-4-yl-2-oxo-benzimidazol-5-yl)-4-fluoro-3-methyl-benzenesulfonamide
  • NCGC00107336-01
  • C301-6256

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
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
Echinococcus multilocularis tar DNA binding protein 0.0125 0.3054 1
Echinococcus granulosus tar DNA binding protein 0.0125 0.3054 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.3054 0.3023
Schistosoma mansoni tar DNA-binding protein 0.0125 0.3054 0.3023
Loa Loa (eye worm) TAR-binding protein 0.0125 0.3054 0.3023
Schistosoma mansoni glutaminase 0.033 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0045 0.0147
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0045 0.5
Loa Loa (eye worm) glutaminase 0.033 1 1
Brugia malayi glutaminase DH11.1 0.033 1 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.3054 0.3023
Brugia malayi RNA binding protein 0.0125 0.3054 0.3023
Mycobacterium ulcerans glutaminase 0.033 1 0.5
Onchocerca volvulus 0.0286 0.8508 1
Loa Loa (eye worm) RNA binding protein 0.0125 0.3054 0.3023
Trichomonas vaginalis glutaminase, putative 0.033 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.3054 0.3023
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7333 0.7321
Schistosoma mansoni tar DNA-binding protein 0.0125 0.3054 0.3023
Brugia malayi Pre-SET motif family protein 0.0251 0.7333 0.7321
Brugia malayi TAR-binding protein 0.0125 0.3054 0.3023
Plasmodium vivax SET domain protein, putative 0.0036 0.0045 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.3054 0.3023
Schistosoma mansoni tar DNA-binding protein 0.0125 0.3054 0.3023

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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