Detailed information for compound 1060487

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.432 | Formula: C23H22N2O3
  • H donors: 1 H acceptors: 2 LogP: 5.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccc(cc1)NC(=O)c1ccc(c2c1occ2)c1c(C)noc1C)C
  • InChi: 1S/C23H22N2O3/c1-13(2)16-5-7-17(8-6-16)24-23(26)20-10-9-18(19-11-12-27-22(19)20)21-14(3)25-28-15(21)4/h5-13H,1-4H3,(H,24,26)
  • InChiKey: VZNMIPKFRONCFB-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
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0127 0.0691 0.1146
Onchocerca volvulus Glucosylceramidase homolog 0.0174 0.1336 0.5
Echinococcus granulosus epidermal growth factor receptor 0.027 0.265 0.4394
Schistosoma mansoni tyrosine kinase 0.0127 0.0691 0.0922
Schistosoma mansoni tyrosine kinase 0.0269 0.2628 0.3504
Echinococcus multilocularis geminin 0.0518 0.6031 0.6031
Chlamydia trachomatis replicative DNA helicase 0.0625 0.75 0.5
Loa Loa (eye worm) TK/INSR protein kinase 0.0127 0.0691 0.1536
Loa Loa (eye worm) twinkle helicase 0.0179 0.1396 0.3103
Echinococcus multilocularis epidermal growth factor receptor 0.027 0.265 0.265
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.2584 1
Echinococcus multilocularis insulin receptor 0.0127 0.0691 0.0691
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0127 0.0691 0.0691
Schistosoma mansoni tyrosine kinase 0.0269 0.2628 0.3504
Loa Loa (eye worm) hypothetical protein 0.0152 0.1025 0.2278
Schistosoma mansoni Replicative DNA helicase 0.0625 0.75 1
Schistosoma mansoni hypothetical protein 0.0104 0.037 0.0494
Schistosoma mansoni tyrosine kinase 0.0269 0.2628 0.3504
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1465 0.1027
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.2584 1
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB 0.0625 0.75 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0152 0.1025 0.2278
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.0625 0.75 0.5
Treponema pallidum replicative DNA helicase (dnaB) 0.0625 0.75 0.5
Loa Loa (eye worm) hypothetical protein 0.0104 0.037 0.0823
Echinococcus granulosus geminin 0.0518 0.6031 1
Mycobacterium ulcerans replicative DNA helicase DnaB 0.0625 0.75 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0152 0.1025 0.2278
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.2584 1
Echinococcus granulosus epidermal growth factor receptor 0.0406 0.45 0.7462
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.0633 0.1406
Echinococcus multilocularis epidermal growth factor receptor 0.0406 0.45 0.45
Schistosoma mansoni hypothetical protein 0.0518 0.6031 0.8042
Schistosoma mansoni tyrosine kinase 0.0406 0.45 0.6001
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.0633 0.1406
Loa Loa (eye worm) TK/EGFR protein kinase 0.0406 0.45 1
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.2584 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0266 0.2584 0.5743
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.0625 0.75 0.5
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.027 0.265 0.4394
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0266 0.2584 0.5743
Brugia malayi MH2 domain containing protein 0.0123 0.0633 0.1406
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.037 0.0823
Schistosoma mansoni tyrosine kinase 0.0127 0.0691 0.0922
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.1465 0.1027
Brugia malayi Furin-like cysteine rich region family protein 0.0406 0.45 1
Echinococcus multilocularis 0.0204 0.1739 0.1739
Echinococcus granulosus insulin receptor 0.0127 0.0691 0.1146
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.2584 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0152 0.1025 0.2278
Schistosoma mansoni tyrosine kinase 0.027 0.265 0.3534
Schistosoma mansoni tyrosine kinase 0.027 0.265 0.3534
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.2584 1
Schistosoma mansoni hypothetical protein 0.0518 0.6031 0.8042
Brugia malayi Protein kinase domain containing protein 0.0127 0.0691 0.1536

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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