Detailed information for compound 1278634

Basic information

Technical information
  • TDR Targets ID: 1278634
  • Name: 2,3-dihydroindol-1-yl-(5-methyl-3-phenyl-1,2- oxazol-4-yl)methanone
  • MW: 304.343 | Formula: C19H16N2O2
  • H donors: 0 H acceptors: 2 LogP: 3.48 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1onc(c1C(=O)N1CCc2c1cccc2)c1ccccc1
  • InChi: 1S/C19H16N2O2/c1-13-17(18(20-23-13)15-8-3-2-4-9-15)19(22)21-12-11-14-7-5-6-10-16(14)21/h2-10H,11-12H2,1H3
  • InChiKey: YDLQOELKARWXLE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • indolin-1-yl-(5-methyl-3-phenyl-isoxazol-4-yl)methanone
  • 1-indolinyl-(5-methyl-3-phenyl-4-isoxazolyl)methanone
  • BIM-0028186.P001
  • ST020186
  • Oprea1_531101
  • ZINC00043172
  • 1-[(5-Methyl-3-phenyl-4-isoxazolyl)carbonyl]indoline
  • Indole, 2,3-dihydro-1-(5-methyl-3-phenyl-4-isoxazolylcarbonyl)-
  • CBMicro_028203
  • MLS000107892
  • SMR000103856

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus 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 granulosus guanine nucleotide binding protein Gs subunit 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) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0112 0.3075 0.5072
Echinococcus granulosus arachidonate 5 lipoxygenase 0.006 0.0954 0.0384
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0074 0.1542 0.2544
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 1 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0074 0.1542 0.2544
Brugia malayi Cytochrome P450 family protein 0.0057 0.0824 0.0824
Schistosoma mansoni hypothetical protein 0.0184 0.6063 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.006 0.0954 0.0384
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0112 0.3075 0.5072
Echinococcus granulosus geminin 0.0184 0.6063 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1542 0.1542
Echinococcus multilocularis geminin 0.0184 0.6063 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.075 0.075
Toxoplasma gondii melibiase subfamily protein 0.0112 0.3075 0.5
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0112 0.3075 0.4377
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0706 0.0706
Loa Loa (eye worm) cytochrome P450 family protein 0.0057 0.0824 0.0824
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.075 0.075
Schistosoma mansoni lipoxygenase 0.006 0.0954 0.1573
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0706 0.0706
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0112 0.3075 0.5072
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.075 0.1237
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0074 0.1542 0.5
Schistosoma mansoni hypothetical protein 0.0184 0.6063 1
Brugia malayi Melibiase family protein 0.0074 0.1542 0.1542
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0706 0.0706
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0112 0.3075 0.4377
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.075 0.1237
Loa Loa (eye worm) hypothetical protein 0.0054 0.0706 0.0706
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0112 0.3075 0.5072
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.075 0.1237
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0112 0.3075 0.4377

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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 Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference
Potency (functional) 70.7946 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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

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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