Detailed information for compound 1065965

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 343.463 | Formula: C20H29N3O2
  • H donors: 0 H acceptors: 2 LogP: 5.13 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC(=O)N(c1c(CC)nc2n1cccc2OCC=C(C)C)C
  • InChi: 1S/C20H29N3O2/c1-6-8-11-18(24)22(5)20-16(7-2)21-19-17(10-9-13-23(19)20)25-14-12-15(3)4/h9-10,12-13H,6-8,11,14H2,1-5H3
  • InChiKey: NRFHKEPLFZPWAY-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
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.3213 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.3213 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0084 0.4681 0.8837
Schistosoma mansoni hypothetical protein 0.0041 0.1853 0.1853
Leishmania major trypanothione reductase 0.0037 0.1581 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3213 0.3213
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.1613 0.1613
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.5297 1
Loa Loa (eye worm) hypothetical protein 0.006 0.3098 0.9589
Plasmodium falciparum thioredoxin reductase 0.0037 0.1581 1
Schistosoma mansoni hypothetical protein 0.0019 0.0407 0.0407
Echinococcus multilocularis GPCR, family 2 0.0019 0.0407 0.0407
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0084 0.4681 0.8837
Echinococcus granulosus tar DNA binding protein 0.0062 0.3213 0.3213
Loa Loa (eye worm) RNA binding protein 0.0062 0.3213 1
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.1581 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0013 0 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0084 0.4681 0.8837
Schistosoma mansoni hypothetical protein 0.0166 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0013 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0407 0.0407
Toxoplasma gondii thioredoxin reductase 0.0037 0.1581 1
Schistosoma mansoni hypothetical protein 0.0019 0.0407 0.0407
Trichomonas vaginalis mercuric reductase, putative 0.0013 0 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.5297 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.3213 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0084 0.4681 0.8837
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3098 0.9589
Echinococcus multilocularis tar DNA binding protein 0.0062 0.3213 0.3213
Brugia malayi RNA binding protein 0.0062 0.3213 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0407 0.1267
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0407 0.0407
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.5297 1
Echinococcus granulosus GPCR family 2 0.0019 0.0407 0.0407
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0407 0.0407
Schistosoma mansoni hypothetical protein 0.0166 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0407 0.0407
Brugia malayi TAR-binding protein 0.0062 0.3213 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3213 0.3213
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Plasmodium vivax glutathione reductase, putative 0.0037 0.1581 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1853 0.5151
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3213 0.3213
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3213 0.3213
Brugia malayi Thioredoxin reductase 0.0037 0.1581 0.492
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1853 0.5765
Trichomonas vaginalis glutathione reductase, putative 0.0013 0 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.1581 0.4184
Brugia malayi glutathione reductase 0.0037 0.1581 0.492
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.1581 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0407 0.1267
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3213 0.3213
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0407 0.0407
Loa Loa (eye worm) glutathione reductase 0.0037 0.1581 0.4184
Echinococcus multilocularis geminin 0.0166 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3098 0.9641
Treponema pallidum NADH oxidase 0.0013 0 0.5
Trypanosoma brucei trypanothione reductase 0.0037 0.1581 1
Plasmodium falciparum glutathione reductase 0.0037 0.1581 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.1581 0.2985
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.5297 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0084 0.4681 0.8837
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.1613 0.1613
Schistosoma mansoni hypothetical protein 0.0019 0.0407 0.0407
Mycobacterium tuberculosis Probable reductase 0.0084 0.4681 0.8837
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3098 0.9641
Giardia lamblia NADH oxidase lateral transfer candidate 0.0013 0 0.5
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0013 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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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