Detailed information for compound 1484315

Basic information

Technical information
  • TDR Targets ID: 1484315
  • Name: 1-(1,3-benzothiazol-2-yl)-N-[2-(3-fluoropheny l)ethyl]piperidine-3-carboxamide
  • MW: 383.482 | Formula: C21H22FN3OS
  • H donors: 1 H acceptors: 2 LogP: 4.66 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)CCNC(=O)C1CCCN(C1)c1nc2c(s1)cccc2
  • InChi: 1S/C21H22FN3OS/c22-17-7-3-5-15(13-17)10-11-23-20(26)16-6-4-12-25(14-16)21-24-18-8-1-2-9-19(18)27-21/h1-3,5,7-9,13,16H,4,6,10-12,14H2,(H,23,26)
  • InChiKey: UQJAHDDHDJWEFT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(1,3-benzothiazol-2-yl)-N-[2-(3-fluorophenyl)ethyl]-3-piperidinecarboxamide
  • 1-(1,3-benzothiazol-2-yl)-N-[2-(3-fluorophenyl)ethyl]nipecotamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Entamoeba histolytica prolyl oligopeptidase family protein 0.0231 0 0.5
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.2915 1 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0231 0 0.5
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0231 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0231 0 0.5
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.2915 1 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0231 0 0.5
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.2915 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0231 0 0.5
Giardia lamblia Alanyl dipeptidyl peptidase 0.0231 0 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.098 0.2791 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.098 0.2791 1
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.098 0.2791 1
Brugia malayi prolyl oligopeptidase family protein 0.098 0.2791 0.2791
Entamoeba histolytica prolyl oligopeptidase family protein 0.0231 0 0.5
Brugia malayi hypothetical protein 0.0749 0.193 0.193
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.2915 1 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.098 0.2791 0.2791
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.098 0.2791 0.2791
Loa Loa (eye worm) prolyl oligopeptidase 0.2915 1 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.098 0.2791 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0231 0 0.5
Plasmodium falciparum peptidase, putative 0.0231 0 0.5
Mycobacterium tuberculosis Probable peptidase 0.0231 0 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.098 0.2791 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0231 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0749 0.193 0.193
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.098 0.2791 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0231 0 0.5
Echinococcus multilocularis Dipeptidyl peptidase 9 0.098 0.2791 0.2791
Entamoeba histolytica hypothetical protein, conserved 0.0231 0 0.5
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0231 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0231 0 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0231 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 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) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] 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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