Detailed information for compound 1459150

Basic information

Technical information
  • TDR Targets ID: 1459150
  • Name: 1-[5-hydroxy-2-methyl-1-(3-propan-2-yloxyprop yl)indol-3-yl]ethanone
  • MW: 289.369 | Formula: C17H23NO3
  • H donors: 1 H acceptors: 2 LogP: 2.67 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OCCCn1c2ccc(cc2c(c1C)C(=O)C)O)C
  • InChi: 1S/C17H23NO3/c1-11(2)21-9-5-8-18-12(3)17(13(4)19)15-10-14(20)6-7-16(15)18/h6-7,10-11,20H,5,8-9H2,1-4H3
  • InChiKey: ZOGXCVQEIIUKKA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[5-hydroxy-1-(3-isopropoxypropyl)-2-methyl-indol-3-yl]ethanone
  • 1-[5-hydroxy-1-(3-isopropoxypropyl)-2-methyl-3-indolyl]ethanone
  • 1-[5-hydroxy-1-(3-isopropoxypropyl)-2-methyl-1H-indol-3-yl]ethanone
  • MLS000066445
  • SMR000081423
  • ZINC02876932
  • 1-[5-Hydroxy-1-(3-isopropoxy-propyl)-2-methyl-1H-indol-3-yl]-ethanone
  • A2620/0111457

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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 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) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
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
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
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
Brugia malayi endonuclease G, mitochondrial precursor 0.0061 0.0346 0.0346
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0101 0.282 1
Trypanosoma brucei endonuclease G, putative 0.0061 0.0346 0.5
Echinococcus multilocularis Endonuclease G 0.0061 0.0346 0.1226
Trypanosoma brucei endonuclease G, putative 0.0061 0.0346 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0101 0.282 1
Leishmania major endonuclease G, putative 0.0061 0.0346 0.5
Trypanosoma cruzi endonuclease G, putative 0.0061 0.0346 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0101 0.282 0.282
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0061 0.0346 0.5
Trypanosoma cruzi endonuclease G, putative 0.0061 0.0346 0.5
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0101 0.282 0.282
Echinococcus multilocularis ectonucleotide 0.0085 0.1845 0.6544
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0101 0.282 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0101 0.282 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0101 0.282 0.282
Loa Loa (eye worm) hypothetical protein 0.0085 0.1845 0.1845
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0101 0.282 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0101 0.282 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0101 0.282 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.282 0.282
Schistosoma mansoni endonuclease related 0.0061 0.0346 0.0346
Echinococcus granulosus Endonuclease G 0.0061 0.0346 0.1226
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0085 0.1845 0.6544
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0061 0.0346 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0101 0.282 0.282
Onchocerca volvulus 0.0219 1 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0101 0.282 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.282 0.282
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0219 1 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0085 0.1845 0.6544
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0101 0.282 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0101 0.282 1
Schistosoma mansoni hypothetical protein 0.0219 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.282 0.282
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0061 0.0346 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0101 0.282 1
Echinococcus granulosus ectonucleotide 0.0085 0.1845 0.6544
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0061 0.0346 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0101 0.282 0.282
Trypanosoma brucei endonuclease G, putative 0.0061 0.0346 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 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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