Detailed information for compound 254831

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.372 | Formula: C19H19N3O4
  • H donors: 2 H acceptors: 4 LogP: 0.77 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(c1)[C@@H](n1cccc(c1=O)NC(=O)C)[C@@H](C(O2)(C)C)O
  • InChi: 1S/C19H19N3O4/c1-11(23)21-14-5-4-8-22(18(14)25)16-13-9-12(10-20)6-7-15(13)26-19(2,3)17(16)24/h4-9,16-17,24H,1-3H3,(H,21,23)/t16-,17+/m1/s1
  • InChiKey: IEKKFMJFJKONPM-SJORKVTESA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Onchocerca volvulus Arrow homolog 0.0364 0.2285 1
Loa Loa (eye worm) zinc metalloproteinase toh-2 0.0157 0.0497 0.0497
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0106 0.0055 0.5
Echinococcus granulosus laminin 0.0405 0.2638 0.2597
Echinococcus granulosus gamma secretase subunit aph 1 0.0241 0.1218 0.117
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.0055 0.5
Onchocerca volvulus 0.0106 0.0055 0.024
Loa Loa (eye worm) AStacin protease 0.0785 0.5927 0.5927
Brugia malayi Nematode astacin protease protein 30 0.0157 0.0497 0.1711
Loa Loa (eye worm) matrixin family protein 0.0109 0.0078 0.0078
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0164 0.0554 0.0502
Schistosoma mansoni egf-like domain protein 0.0364 0.2285 0.2242
Loa Loa (eye worm) hypothetical protein 0.0106 0.0055 0.0055
Schistosoma mansoni gamma-secretase subunit aph-1 0.0241 0.1218 0.117
Brugia malayi astacin protease protein 30 0.0157 0.0497 0.1711
Brugia malayi gamma-secretase subunit aph-1 0.0241 0.1218 0.4504
Loa Loa (eye worm) hypothetical protein 0.0106 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0147 0.0408 0.0408
Loa Loa (eye worm) bone morphogenetic protein 1b 0.1255 1 1
Onchocerca volvulus Putative cubilin 0.0147 0.0408 0.1786
Echinococcus multilocularis Tolloid protein 1 0.1255 1 1
Onchocerca volvulus 0.0157 0.0497 0.2175
Loa Loa (eye worm) hypothetical protein 0.0106 0.0055 0.0055
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0106 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.1204 0.9558 0.9558
Loa Loa (eye worm) hypothetical protein 0.0511 0.3559 0.3559
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.1255 1 1
Loa Loa (eye worm) lectin C-type domain-containing protein 0.0106 0.0055 0.0055
Toxoplasma gondii calcium binding egf domain-containing protein 0.0405 0.2638 0.5
Brugia malayi Matrixin family protein 0.0109 0.0078 0.009
Brugia malayi zinc metalloproteinase toh-2 precursor 0.0157 0.0497 0.1711
Loa Loa (eye worm) hypothetical protein 0.0106 0.0055 0.0055
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0364 0.2285 0.2285
Echinococcus multilocularis fibrillin 1 0.0405 0.2638 0.2597
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0405 0.2638 0.2638
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0106 0.0055 0.5
Loa Loa (eye worm) hypothetical protein 0.0405 0.2638 0.2638
Loa Loa (eye worm) hypothetical protein 0.0106 0.0055 0.0055
Echinococcus multilocularis gamma secretase subunit aph 1 0.0241 0.1218 0.117
Brugia malayi Calcium binding EGF domain containing protein 0.0405 0.2638 1
Toxoplasma gondii calcium binding egf domain-containing protein 0.0405 0.2638 0.5
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0241 0.1218 0.1218
Loa Loa (eye worm) hypothetical protein 0.0364 0.2285 0.2285
Loa Loa (eye worm) DPY-31 protein 0.0157 0.0497 0.0497
Loa Loa (eye worm) hypothetical protein 0.0106 0.0055 0.0055
Loa Loa (eye worm) CUB domain-containing protein 0.0106 0.0055 0.0055
Onchocerca volvulus 0.0106 0.0055 0.024
Loa Loa (eye worm) hypothetical protein 0.0157 0.0497 0.0497
Loa Loa (eye worm) hypothetical protein 0.0106 0.0055 0.0055
Echinococcus multilocularis laminin 0.0405 0.2638 0.2597
Brugia malayi Nematode astacin protease protein 30 0.0157 0.0497 0.1711
Onchocerca volvulus 0.0106 0.0055 0.024
Brugia malayi Zinc metalloproteinase toh-2 precursor 0.0157 0.0497 0.1711
Brugia malayi Calcium binding EGF domain containing protein 0.0147 0.0408 0.1367
Loa Loa (eye worm) hypothetical protein 0.0364 0.2285 0.2285
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0106 0.0055 0.5
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0364 0.2285 0.8633
Loa Loa (eye worm) CUB domain-containing protein 0.0106 0.0055 0.0055
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0164 0.0554 0.0502
Brugia malayi Fibulin-1 precursor 0.0405 0.2638 1

Activities

Activity type Activity value Assay description Source Reference
Max fall in blood pressure (functional) = 22 mmHg Antihypertensive effect after 1 mg/kg (po) administration in conscious spontaneously hypertensive rat (over a time period of 0-210 minutes). ChEMBL. 2299619

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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