Detailed information for compound 1434791

Basic information

Technical information
  • TDR Targets ID: 1434791
  • Name: 1-[5-hydroxy-1-(2-hydroxyethyl)-2-methylindol -3-yl]ethanone
  • MW: 233.263 | Formula: C13H15NO3
  • H donors: 2 H acceptors: 3 LogP: 0.98 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCn1c2ccc(cc2c(c1C)C(=O)C)O
  • InChi: 1S/C13H15NO3/c1-8-13(9(2)16)11-7-10(17)3-4-12(11)14(8)5-6-15/h3-4,7,15,17H,5-6H2,1-2H3
  • InChiKey: GREBWDHJEBOBJM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[5-hydroxy-1-(2-hydroxyethyl)-2-methyl-indol-3-yl]ethanone
  • 1-[5-hydroxy-1-(2-hydroxyethyl)-2-methyl-3-indolyl]ethanone
  • EU-0007844
  • 1-[5-Hydroxy-1-(2-hydroxy-ethyl)-2-methyl-1H-indol-3-yl]-ethanone
  • BAS 02973475
  • MLS000123291
  • SMR000123828
  • ZINC00105150

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0036 0.046 0.0606
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.046 0.1741
Plasmodium vivax SET domain protein, putative 0.0036 0.046 0.0392
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0086 0.0015
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0086 0.0015
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.046 0.1741
Trichomonas vaginalis conserved hypothetical protein 0.0376 1 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.046 0.1741
Mycobacterium ulcerans lysophospholipase 0.0376 1 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0102 0.2308 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0303 0.0234
Brugia malayi MGC79044 protein 0.0022 0.0071 0.0109
Trypanosoma brucei monoglyceride lipase, putative 0.0376 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0086 0.0015
Plasmodium vivax PST-A protein 0.0376 1 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0102 0.2308 1
Plasmodium falciparum lysophospholipase, putative 0.0376 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0376 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0303 0.0234
Trypanosoma cruzi monoglyceride lipase, putative 0.0376 1 1
Plasmodium falciparum lysophospholipase, putative 0.0376 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.0086 0.0068
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.046 0.1741
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0086 0.0015
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6501 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0086 0.0068
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0086 0.0015
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.046 0.1741
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.046 0.1741
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0086 0.0015
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0086 0.0068
Schistosoma mansoni ap endonuclease 0.0023 0.0086 0.0068
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0376 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0086 0.5
Brugia malayi hypothetical protein 0.003 0.0303 0.0466
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0376 1 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7475 0.7457
Chlamydia trachomatis hydrolase 0.0022 0.0071 0.5
Toxoplasma gondii exonuclease III APE 0.0023 0.0086 0.0393
Leishmania major monoglyceride lipase, putative 0.0376 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0376 1 1
Plasmodium falciparum lysophospholipase, putative 0.0376 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0086 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.046 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0086 0.0015
Mycobacterium ulcerans hypothetical protein 0.0376 1 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0102 0.2308 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0303 0.0234
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0376 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0086 0.0132
Brugia malayi Pre-SET motif family protein 0.0036 0.046 0.0708
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0086 0.0024
Leishmania major hypothetical protein, conserved 0.003 0.0303 0.0234
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0303 0.0234
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0303 0.0234
Mycobacterium tuberculosis Possible lysophospholipase 0.0376 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.046 0.1741
Plasmodium falciparum esterase, putative 0.0376 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0086 0.0015
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0086 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0303 0.0361
Leishmania major hypothetical protein, conserved 0.0022 0.0071 0.00000004267
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0086 0.0015
Onchocerca volvulus 0.0286 0.7475 1
Schistosoma mansoni amidase 0.0102 0.2308 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0102 0.2308 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0376 1 0.5
Brugia malayi MGC83647 protein 0.0022 0.0071 0.0109
Chlamydia trachomatis acyltransferase family protein 0.0022 0.0071 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0102 0.2308 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0423 0.1575
Brugia malayi Pre-SET motif family protein 0.0251 0.6501 1
Brugia malayi Protein C20orf22 0.0022 0.0071 0.0109
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0376 1 1
Trypanosoma brucei monoglyceride lipase, putative 0.0376 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0303 0.596
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0086 0.0015
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0086 0.0015
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0376 1 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.2308 0.348
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0376 1 1
Brugia malayi amidase 0.0102 0.2308 0.3551
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0303 0.0234

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0014 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.122 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 Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.2163 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 112.2018 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.