Detailed information for compound 1703415

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.467 | Formula: C22H27N3O4
  • H donors: 1 H acceptors: 3 LogP: 2.16 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(=O)C1CCCN(CC1)C(=O)c1cccnc1Oc1ccccc1
  • InChi: 1S/C22H27N3O4/c1-28-16-13-23-20(26)17-7-6-14-25(15-11-17)22(27)19-10-5-12-24-21(19)29-18-8-3-2-4-9-18/h2-5,8-10,12,17H,6-7,11,13-16H2,1H3,(H,23,26)
  • InChiKey: XPRZZQIGMHNJBH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0046 0.2389 0.2389
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0044 0.2246 0.2246
Loa Loa (eye worm) calpain family protein 1 0.0044 0.2246 0.2246
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3575 0.3575
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0139 1 1
Echinococcus multilocularis calpain family protein 1, d 0.0032 0.1295 0.1295
Echinococcus multilocularis calpain A 0.0046 0.2409 0.2409
Giardia lamblia Cathepsin B precursor 0.0046 0.2389 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.2246 0.2246
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0139 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0139 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0201 0.0201
Echinococcus granulosus cathepsin b 0.0139 1 1
Onchocerca volvulus 0.0027 0.0886 0.5
Toxoplasma gondii cathepsin B 0.0046 0.2389 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0201 0.0201
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0201 0.0201
Plasmodium vivax calpain, putative 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0201 0.0201
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3575 0.3575
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0139 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0201 0.0201
Echinococcus granulosus calpain A 0.0046 0.2409 0.2409
Loa Loa (eye worm) hypothetical protein 0.0139 1 1
Loa Loa (eye worm) calpain family protein 1 0.0032 0.1295 0.1295
Loa Loa (eye worm) hypothetical protein 0.0039 0.1837 0.1837
Echinococcus multilocularis cathepsin b 0.0139 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.2013 0.2013
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0201 0.0201
Echinococcus multilocularis GPCR, family 2 0.0019 0.0201 0.0201
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0201 0.0201
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0046 0.2389 1
Giardia lamblia Cathepsin B precursor 0.0046 0.2389 0.5
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0201 0.0201
Echinococcus granulosus GPCR family 2 0.0019 0.0201 0.0201
Brugia malayi calpain family protein 1 0.0044 0.2246 0.2246
Loa Loa (eye worm) hypothetical protein 0.006 0.3575 0.3575
Loa Loa (eye worm) cathepsin B 0.0046 0.2389 0.2389
Schistosoma mansoni hypothetical protein 0.0019 0.0201 0.0201
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0046 0.2389 0.5
Echinococcus multilocularis cathepsin b 0.0139 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0201 0.0201
Schistosoma mansoni hypothetical protein 0.0019 0.0201 0.0201
Trypanosoma brucei cysteine peptidase C (CPC) 0.0046 0.2389 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0046 0.2409 0.2409
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0046 0.2409 0.2409
Giardia lamblia Cathepsin B precursor 0.0046 0.2389 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2013 0.2013
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3575 0.3575
Loa Loa (eye worm) hypothetical protein 0.0027 0.0886 0.0886
Loa Loa (eye worm) hypothetical protein 0.0032 0.1295 0.1295
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0201 0.0201
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0046 0.2389 0.2389
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0046 0.2409 0.2409
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0046 0.2409 0.2409
Brugia malayi calpain family protein 1 0.0044 0.2246 0.2246
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0139 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.2013 0.2013
Echinococcus granulosus cathepsin b 0.0139 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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.

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