Detailed information for compound 1541895

Basic information

Technical information
  • TDR Targets ID: 1541895
  • Name: Oprea1_612039
  • MW: 327.374 | Formula: C19H21NO4
  • H donors: 1 H acceptors: 1 LogP: 2.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)C1NC(=O)Cc2c1cc(OC)c(c2)OC
  • InChi: 1S/C19H21NO4/c1-4-24-14-7-5-12(6-8-14)19-15-11-17(23-3)16(22-2)9-13(15)10-18(21)20-19/h5-9,11,19H,4,10H2,1-3H3,(H,20,21)
  • InChiKey: HZEYBSGFWWSGDM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • T0503-1361

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
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0043 0.0558 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0179 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0591 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0301 0.5892 1
Leishmania major hypothetical protein, conserved 0.0024 0.0179 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0591 0.0419
Plasmodium falciparum ornithine aminotransferase 0.0043 0.0558 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0591 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0043 0.0558 0.5
Onchocerca volvulus 0.05 1 0.5
Loa Loa (eye worm) pax transcription factor protein 2 0.05 1 1
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0043 0.0558 1
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0301 0.5892 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0179 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0591 1
Plasmodium vivax ornithine aminotransferase, putative 0.0043 0.0558 1
Mycobacterium ulcerans hypothetical protein 0.0301 0.5892 1
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0179 0.5
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0301 0.5892 0.5
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0043 0.0558 0.0558
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0591 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0591 0.0591
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0591 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0301 0.5892 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0591 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0591 1
Brugia malayi hypothetical protein 0.0024 0.0179 0.0179
Mycobacterium tuberculosis Probable aminotransferase 0.0301 0.5892 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 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) 18.526 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) 22.3872 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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