Detailed information for compound 1485439

Basic information

Technical information
  • TDR Targets ID: 1485439
  • Name: N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzo thiazol-2-yl)-2-methoxybenzamide hydrochlorid e
  • MW: 437.959 | Formula: C21H25ClFN3O2S
  • H donors: 0 H acceptors: 2 LogP: 5.37 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCN(C(=O)c1ccccc1OC)c1nc2c(s1)cc(cc2)F)CC.Cl
  • InChi: 1S/C21H24FN3O2S.ClH/c1-4-24(5-2)12-13-25(20(26)16-8-6-7-9-18(16)27-3)21-23-17-11-10-15(22)14-19(17)28-21;/h6-11,14H,4-5,12-13H2,1-3H3;1H
  • InChiKey: ODFZAPLVHPHXEE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxy-benzamide hydrochloride
  • MLS000685351
  • SMR000324108

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
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
Schistosoma mansoni transient receptor potential channel 0.0078 0.0996 0.0996
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.069 1 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0136 0.0136
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0136 0.0136
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0264 0.3734 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1976 0.1976
Loa Loa (eye worm) hypothetical protein 0.0074 0.0938 0.0938
Loa Loa (eye worm) hypothetical protein 0.004 0.0439 0.0439
Schistosoma mansoni hypothetical protein 0.0019 0.0136 0.0136
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.1522 0.1522
Loa Loa (eye worm) hypothetical protein 0.0117 0.1579 0.1579
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0264 0.3734 0.5
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.0996 0.0996
Loa Loa (eye worm) hypothetical protein 0.0041 0.0461 0.0461
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.0996 0.0996
Schistosoma mansoni dihydrofolate reductase 0.069 1 1
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 0.1579 0.1579
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.069 1 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0136 0.0136
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0264 0.3734 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0136 0.0136
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0741 0.0741
Schistosoma mansoni hypothetical protein 0.0019 0.0136 0.0136
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.069 1 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0136 0.0136
Loa Loa (eye worm) hypothetical protein 0.0019 0.0136 0.0136
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0264 0.3734 0.5
Loa Loa (eye worm) dihydrofolate reductase 0.069 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0461 0.0461
Echinococcus granulosus GPCR family 2 0.0019 0.0136 0.0136
Schistosoma mansoni transient receptor potential channel 0.0117 0.1579 0.1579
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.0497 0.0497
Brugia malayi MH2 domain containing protein 0.0144 0.1976 0.1976
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0741 0.0741
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0264 0.3734 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0136 0.0136
Echinococcus granulosus dihydrofolate reductase 0.069 1 1
Brugia malayi Transient-receptor-potential like protein 0.0044 0.0497 0.0497
Echinococcus multilocularis dihydrofolate reductase 0.069 1 1
Brugia malayi Dihydrofolate reductase 0.069 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0497 0.0497
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0136 0.0136
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0136 0.0136
Echinococcus granulosus transient receptor potential gamma protein 0.0117 0.1579 0.1579
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.0497 0.0497
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.0996 0.0996
Schistosoma mansoni hypothetical protein 0.0041 0.0461 0.0461
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0264 0.3734 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0741 0.0741
Chlamydia trachomatis dihydrofolate reductase 0.069 1 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1976 0.1976
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0741 0.0741
Schistosoma mansoni transient receptor potential channel 4 0.0117 0.1579 0.1579
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.1522 0.1522
Schistosoma mansoni transient receptor potential channel 0.0078 0.0996 0.0996
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0136 0.0136
Echinococcus multilocularis GPCR, family 2 0.0019 0.0136 0.0136
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.0996 0.0996

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 2.1133 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 31.6228 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) 31.6228 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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