Detailed information for compound 1540279

Basic information

Technical information
  • TDR Targets ID: 1540279
  • Name: Oprea1_726107
  • MW: 469.575 | Formula: C29H31N3O3
  • H donors: 0 H acceptors: 2 LogP: 4.42 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)COc1ccc(cc1)N(C(=O)c1ccccc1)C
  • InChi: 1S/C29H31N3O3/c1-20-9-14-26-24(17-20)25-18-30(2)16-15-27(25)32(26)28(33)19-35-23-12-10-22(11-13-23)31(3)29(34)21-7-5-4-6-8-21/h4-14,17,25,27H,15-16,18-19H2,1-3H3
  • InChiKey: MPZWZQXPEIPROY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • T0506-2364
  • MLS001017435
  • SMR000353666

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 intermediate filament protein 0.0028 0.0567 0.0861
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0684 0.0684
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0086 0.4295 0.4295
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.2802 0.3108
Echinococcus granulosus lamin dm0 0.0028 0.0567 0.0567
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.1094 0.5
Echinococcus multilocularis lamin dm0 0.0028 0.0567 0.0567
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0684 0.1039
Echinococcus multilocularis carbonic anhydrase 0.0028 0.0562 0.0562
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.0562 0.0852
Echinococcus multilocularis jun protein 0.0086 0.4295 0.4295
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0684 0.0684
Loa Loa (eye worm) hypothetical protein 0.0028 0.0562 0.0852
Trypanosoma brucei carbonic anhydrase-like protein 0.0122 0.6589 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.1094 0.1094
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0684 0.0684
Echinococcus multilocularis carbonic anhydrase II 0.0122 0.6589 0.6589
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0684 0.0684
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0684 0.0684
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0684 0.0684
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.2802 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0684 0.0684
Onchocerca volvulus 0.0028 0.0567 0.1784
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.2234 0.2234
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.2802 0.2802
Loa Loa (eye worm) hypothetical protein 0.0028 0.0567 0.0861
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0684 0.0684
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0022
Schistosoma mansoni lipoxygenase 0.0054 0.2234 0.2234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0684 0.1039
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0684 0.0684
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0684 0.1039
Loa Loa (eye worm) hypothetical protein 0.0041 0.1414 0.2146
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0684 0.1039
Schistosoma mansoni lipoxygenase 0.0019 0.0014 0.0014
Schistosoma mansoni rab6-interacting 0.0019 0.0014 0.0014
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0684 0.1039
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0684 0.1039
Echinococcus multilocularis musashi 0.0028 0.0567 0.0567
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0684 0.2163
Brugia malayi hypothetical protein 0.0068 0.3111 0.4722
Loa Loa (eye worm) hypothetical protein 0.0027 0.0534 0.0811
Loa Loa (eye worm) hypothetical protein 0.003 0.0684 0.1039
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.1094 0.1094
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0684 0.1039
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0684 0.0684
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.2802 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0014 0.0014
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.003 0.0684 0.1039
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.1094 0.5
Brugia malayi ecdysteroid receptor 0.003 0.0684 0.1039
Loa Loa (eye worm) carbonic anhydrase 3 0.0122 0.6589 1
Echinococcus granulosus FTZ F1 alpha 0.003 0.0684 0.0684
Schistosoma mansoni jun-related protein 0.007 0.3262 0.3262
Echinococcus multilocularis lamin 0.0028 0.0567 0.0567
Loa Loa (eye worm) hypothetical protein 0.003 0.0684 0.1039
Schistosoma mansoni loxhd1 0.0019 0.0014 0.0014
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0684 0.0684
Loa Loa (eye worm) hypothetical protein 0.0036 0.1094 0.166
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0684 0.2163
Loa Loa (eye worm) hypothetical protein 0.006 0.2632 0.3995
Echinococcus granulosus lamin 0.0028 0.0567 0.0567
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0684 0.0684
Loa Loa (eye worm) hypothetical protein 0.003 0.0684 0.1039
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0014 0.0014
Echinococcus multilocularis geminin 0.0175 1 1
Schistosoma mansoni polycystin 1-related 0.0019 0.0014 0.0014
Brugia malayi bZIP transcription factor family protein 0.0086 0.4295 0.6518
Loa Loa (eye worm) hypothetical protein 0.003 0.0684 0.1039
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0684 0.1039
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0122 0.6589 0.6589
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0567 0.0861
Brugia malayi nuclear hormone receptor 0.003 0.0684 0.1039
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.1094 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0684 0.1039
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0684 0.1039
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0122 0.6589 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0028 0.0562 0.0852
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2632 0.3995
Loa Loa (eye worm) hypothetical protein 0.0028 0.0562 0.0852
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.014 0.7717 0.7717
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0684 0.1039
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0014 0.5
Schistosoma mansoni hypothetical protein 0.0028 0.0562 0.0562
Onchocerca volvulus 0.0028 0.0567 0.1784
Schistosoma mansoni intermediate filament proteins 0.0028 0.0567 0.0567
Schistosoma mansoni lamin 0.0028 0.0567 0.0567
Echinococcus granulosus carbonic anhydrase II 0.0122 0.6589 0.6589
Echinococcus granulosus jun protein 0.0086 0.4295 0.4295
Schistosoma mansoni carbonic anhydrase 0.0028 0.0562 0.0562
Loa Loa (eye worm) hypothetical protein 0.003 0.0684 0.1039
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0684 0.1039
Brugia malayi Doublecortin family protein 0.0019 0.0014 0.0022
Echinococcus granulosus carbonic anhydrase 0.0028 0.0562 0.0562
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0014 0.0014
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.014 0.7717 0.7717
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0028 0.0562 0.0852
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0014 0.0014
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0684 0.1039
Plasmodium falciparum carbonic anhydrase 0.0028 0.0562 1
Schistosoma mansoni lamin 0.0028 0.0567 0.0567
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0122 0.6589 1
Schistosoma mansoni coup transcription factor 0.003 0.0684 0.0684
Brugia malayi steroid hormone receptor 0.003 0.0684 0.1039
Brugia malayi nuclear receptor NHR-88 0.003 0.0684 0.1039
Brugia malayi hypothetical protein 0.0019 0.0014 0.0022
Onchocerca volvulus 0.003 0.0684 0.2163
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2632 0.3995
Echinococcus granulosus RUN 0.0019 0.0014 0.0014
Echinococcus multilocularis thyroid hormone receptor alpha 0.0169 0.962 0.962
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0684 0.0684
Schistosoma mansoni rab6-interacting 0.0019 0.0014 0.0014
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.2802 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0684 0.0684
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.0562 0.0852
Loa Loa (eye worm) hypothetical protein 0.003 0.0684 0.1039
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0014 0.0014
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0684 0.1039
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0684 0.1039
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0684 0.0684
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0684 0.1039
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.0562 0.0562
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0684 0.0684
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0122 0.6589 1
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0684 0.0684
Schistosoma mansoni hypothetical protein 0.0175 1 1
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0684 0.2163
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.0562 0.0562
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.0562 0.0562
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0684 0.0684
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0684 0.1039
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.0562 0.0852
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.1094 0.1094
Echinococcus multilocularis carbonic anhydrase 0.0028 0.0562 0.0562
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0684 0.1039
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.2802 0.2802
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0022
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0028 0.0562 0.0852
Loa Loa (eye worm) hypothetical protein 0.0028 0.0562 0.0852
Echinococcus granulosus intermediate filament protein 0.0028 0.0567 0.0567
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0684 0.0684
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0684 0.1039
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0122 0.6589 1
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0684 0.0684
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0684 0.1039
Schistosoma mansoni hypothetical protein 0.007 0.3262 0.3262
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0567 0.0861
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.2802 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0684 0.1039
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.2802 0.2802
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2632 0.3995
Echinococcus multilocularis RUN 0.0019 0.0014 0.0014
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0567 0.0861
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.2802 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0086 0.4295 0.4295
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0684 0.1039
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.2802 0.2802
Echinococcus granulosus carbonic anhydrase 0.0028 0.0562 0.0562
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.1094 0.1094
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0684 0.0684
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.1094 0.1094
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0014 0.0014
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.1094 0.5
Leishmania major carbonic anhydrase-like protein 0.0122 0.6589 1
Brugia malayi hypothetical protein 0.0019 0.0014 0.0022
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1414 0.2146
Schistosoma mansoni hypothetical protein 0.0175 1 1
Schistosoma mansoni hypothetical protein 0.014 0.7717 0.7717
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.1094 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0684 0.0684
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0684 0.0684
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.1094 0.1094
Schistosoma mansoni thyroid hormone receptor 0.0169 0.962 0.962
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0122 0.6589 0.6589
Schistosoma mansoni nuclear hormone receptor 0.003 0.0684 0.0684
Schistosoma mansoni hypothetical protein 0.0041 0.1414 0.1414
Loa Loa (eye worm) hypothetical protein 0.0084 0.4144 0.6289
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0014 0.0022
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0684 0.0684
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.1094 0.166
Onchocerca volvulus 0.0068 0.3111 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0684 0.1039
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0122 0.6589 1
Schistosoma mansoni thyroid hormone receptor 0.0169 0.962 0.962
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.2234 0.2234
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0684 0.1039
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.1094 0.1094
Loa Loa (eye worm) hypothetical protein 0.003 0.0684 0.1039
Echinococcus granulosus carbonic anhydrase 0.0028 0.0562 0.0562
Echinococcus multilocularis carbonic anhydrase 0.0028 0.0562 0.0562
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0684 0.0684
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.1094 0.1094

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.9362 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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