Detailed information for compound 1485700

Basic information

Technical information
  • TDR Targets ID: 1485700
  • Name: 6-(3-morpholin-4-ylpropylcarbamoyl)bicyclo[2. 2.1]hept-2-ene-5-carboxylic acid
  • MW: 308.373 | Formula: C16H24N2O4
  • H donors: 2 H acceptors: 3 LogP: -2.16 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1C2C=CC(C1C(=O)O)C2)NCCCN1CCOCC1
  • InChi: 1S/C16H24N2O4/c19-15(17-4-1-5-18-6-8-22-9-7-18)13-11-2-3-12(10-11)14(13)16(20)21/h2-3,11-14H,1,4-10H2,(H,17,19)(H,20,21)
  • InChiKey: FIWQFRKYOLVSGR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(3-morpholinopropylcarbamoyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid
  • 6-[(3-morpholinopropylamino)-oxomethyl]-5-bicyclo[2.2.1]hept-2-enecarboxylic acid
  • BAS 03435768
  • 3-(3-Morpholin-4-yl-propylcarbamoyl)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
  • ST5017408
  • SMR000012362
  • MLS000073508

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi prolyl oligopeptidase family protein 0.1599 0.6507 0.632
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.1599 0.6507 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0796 0.051 0.0784
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0796 0.051 0.0784
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.2067 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1599 0.6507 0.632
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.2067 1 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0728 0 0.5
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0728 0 0.5
Trypanosoma cruzi prolyl endopeptidase 0.1599 0.6507 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.2067 1 1
Echinococcus multilocularis prolyl endopeptidase 0.1599 0.6507 0.632
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0796 0.051 0.0784
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.2067 1 1
Loa Loa (eye worm) prolyl oligopeptidase 0.2067 1 1
Echinococcus granulosus prolyl endopeptidase 0.1599 0.6507 0.632
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0796 0.051 0.0784
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0796 0.051 0.0784
Trypanosoma brucei prolyl endopeptidase 0.1599 0.6507 1
Toxoplasma gondii prolyl endopeptidase 0.1599 0.6507 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1599 0.6507 0.632
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.1296 0.4241 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 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

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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