Detailed information for compound 1494880

Basic information

Technical information
  • TDR Targets ID: 1494880
  • Name: Oprea1_483296
  • MW: 296.277 | Formula: C16H12N2O4
  • H donors: 1 H acceptors: 3 LogP: 2.36 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1nc(C(=O)O)c2c(c1=O)cccc2
  • InChi: 1S/C16H12N2O4/c1-22-11-8-6-10(7-9-11)18-15(19)13-5-3-2-4-12(13)14(17-18)16(20)21/h2-9H,1H3,(H,20,21)
  • InChiKey: YTTOIDCLTQRCJL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000521402
  • 8C-132
  • SMR000131810

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus metabotropic glutamate receptor 5 0.0116 0.1233 0.1233
Brugia malayi Pre-SET motif family protein 0.0251 0.3321 0.518
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0373 0.0581
Schistosoma mansoni microtubule-associated protein tau 0.0684 1 1
Loa Loa (eye worm) ryanodine receptor 0.0169 0.2046 0.5324
Loa Loa (eye worm) glutamate receptor 0.0094 0.0897 0.2335
Loa Loa (eye worm) hypothetical protein 0.0041 0.0079 0.0205
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.3321 0.8639
Loa Loa (eye worm) hypothetical protein 0.006 0.0373 0.0969
Schistosoma mansoni ryanodine receptor related 0.0452 0.6411 0.6411
Echinococcus granulosus expressed protein 0.037 0.5154 0.5154
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0296 0.0296
Brugia malayi cation channel family protein 0.0193 0.2422 0.3779
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0107 0.1097 0.1097
Schistosoma mansoni metabotropic glutamate receptor 0.0079 0.0662 0.0662
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0296 0.0462
Leishmania major hypothetical protein, conserved 0.0111 0.1152 0.5
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0452 0.6411 1
Echinococcus multilocularis microtubule associated protein 2 0.0684 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0296 0.0296
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0373 0.0581
Echinococcus multilocularis ryanodine receptor 44f 0.0366 0.5085 0.5085
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3857 0.5
Loa Loa (eye worm) hypothetical protein 0.0086 0.077 0.2002
Brugia malayi metabotropic glutamate receptor type 2 0.0046 0.0152 0.0238
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0116 0.1233 0.1233
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0085 0.0761 0.1187
Loa Loa (eye worm) hypothetical protein 0.0285 0.3844 1
Echinococcus multilocularis ryanodine receptor 44f 0.0285 0.3844 0.3844
Loa Loa (eye worm) hypothetical protein 0.0055 0.0292 0.0761
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0296 0.0296
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.0046 0.0152 0.0152
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0296 0.077
Schistosoma mansoni hypothetical protein 0.0111 0.1162 0.1162
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0138 0.1574 0.1574
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0296 0.0296
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0052 0.0248 0.0248
Echinococcus multilocularis expressed protein 0.037 0.5154 0.5154
Echinococcus granulosus metabotropic glutamate receptor 2 0.0079 0.0662 0.0662
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0163 0.1956 0.5
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0079 0.0662 0.0662
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0373 0.0969
Schistosoma mansoni hypothetical protein 0.0041 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0116 0.1233 0.3208
Loa Loa (eye worm) glutamate receptor 0.0037 0.0016 0.0041
Loa Loa (eye worm) hypothetical protein 0.0082 0.0715 0.186
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0296 0.0296
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0296 0.0296
Brugia malayi Metabotropic glutamate receptor precursor. 0.0094 0.0897 0.14
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0296 0.0296
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0055 0.0292 0.0292
Echinococcus granulosus ryanodine receptor 44f 0.0366 0.5085 0.5085
Plasmodium vivax SET domain protein, putative 0.0036 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0079 0.0123
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0163 0.1956 0.5
Echinococcus granulosus ryanodine receptor 44f 0.0285 0.3844 0.3844
Onchocerca volvulus 0.0286 0.3857 1
Loa Loa (eye worm) ryanodine receptor 0.0107 0.1088 0.2831

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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