Detailed information for compound 1286971

Basic information

Technical information
  • TDR Targets ID: 1286971
  • Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(phenoxy )-N-(pyridin-3-ylmethyl)acetamide
  • MW: 389.47 | Formula: C22H19N3O2S
  • H donors: 0 H acceptors: 3 LogP: 4.56 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)sc(n2)N(C(=O)COc1ccccc1)Cc1cccnc1
  • InChi: 1S/C22H19N3O2S/c1-16-9-10-19-20(12-16)28-22(24-19)25(14-17-6-5-11-23-13-17)21(26)15-27-18-7-3-2-4-8-18/h2-13H,14-15H2,1H3
  • InChiKey: SJIHVVFODWJILF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(6-methyl-1,3-benzothiazol-2-yl)-2-(phenoxy)-N-(3-pyridylmethyl)acetamide
  • N-(6-methyl-1,3-benzothiazol-2-yl)-2-(phenoxy)-N-(pyridin-3-ylmethyl)ethanamide
  • NCGC00136599-01
  • G856-6895

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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 lipoxygenase 0.0178 0.5862 0.5852
Brugia malayi hypothetical protein 0.004 0.0341 0.0318
Schistosoma mansoni loxhd1 0.004 0.0341 0.0318
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0101 0.2787 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0602 0.099
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0024 0.0024
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0024 0.0024
Brugia malayi Doublecortin family protein 0.004 0.0341 0.0318
Echinococcus multilocularis UDP glucose 4 epimerase 0.0101 0.2787 0.4733
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0602 0.0579
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0101 0.2787 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0341 0.0341
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0602 0.099
Echinococcus multilocularis lipoxygenase domain containing protein 0.004 0.0341 0.0544
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0101 0.2787 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0024 0.0024
Echinococcus granulosus lipoxygenase domain containing protein 0.004 0.0341 0.0544
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0602 0.0579
Onchocerca volvulus 0.0182 0.6058 1
Loa Loa (eye worm) doublecortin family protein 0.004 0.0341 0.0341
Loa Loa (eye worm) hypothetical protein 0.004 0.0341 0.0341
Schistosoma mansoni polycystin 1-related 0.004 0.0341 0.0318
Schistosoma mansoni lipoxygenase 0.0105 0.2932 0.2915
Brugia malayi hypothetical protein 0.004 0.0341 0.0318
Echinococcus multilocularis RUN 0.004 0.0341 0.0544
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0602 0.0579
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0602 0.099
Schistosoma mansoni UDP-glucose 4-epimerase 0.0101 0.2787 0.277
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0602 0.0579
Onchocerca volvulus 0.004 0.0341 0.0526
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0178 0.5862 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0178 0.5862 1
Brugia malayi UDP galactose 4'-epimerase 0.0101 0.2787 0.277
Brugia malayi hypothetical protein 0.0182 0.6058 0.6048
Giardia lamblia UDP-glucose 4-epimerase 0.0105 0.2953 0.5
Schistosoma mansoni rab6-interacting 0.004 0.0341 0.0318
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0602 0.099
Loa Loa (eye worm) hypothetical protein 0.0182 0.6058 0.6058
Echinococcus multilocularis Polycystic kidney disease protein 0.004 0.0341 0.0544
Schistosoma mansoni hypothetical protein 0.004 0.0341 0.0318
Echinococcus granulosus UDP glucose 4 epimerase 0.0101 0.2787 0.4733
Onchocerca volvulus 0.004 0.0341 0.0526
Plasmodium vivax multidomain scavenger receptor, putative 0.004 0.0341 0.5
Leishmania major udp-glc 4-epimerase, putative 0.0105 0.2953 0.5
Echinococcus multilocularis lipoxygenase domain containing protein 0.004 0.0341 0.0544
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0101 0.2787 0.2787
Echinococcus granulosus RUN 0.004 0.0341 0.0544
Echinococcus granulosus lipoxygenase domain containing protein 0.004 0.0341 0.0544
Echinococcus granulosus Polycystic kidney disease protein 0.004 0.0341 0.0544
Schistosoma mansoni rab6-interacting 0.004 0.0341 0.0318
Trypanosoma brucei UDP-galactose 4-epimerase 0.0105 0.2953 0.5
Toxoplasma gondii UDP-glucose 4-epimerase 0.0101 0.2787 0.5
Plasmodium falciparum LCCL domain-containing protein 0.004 0.0341 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0602 0.0602

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.