Detailed information for compound 1269549

Basic information

Technical information
  • TDR Targets ID: 1269549
  • Name: 4-methyl-7-prop-2-ynoxychromen-2-one
  • MW: 214.217 | Formula: C13H10O3
  • H donors: 0 H acceptors: 1 LogP: 1.91 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCOc1ccc2c(c1)oc(=O)cc2C
  • InChi: 1S/C13H10O3/c1-3-6-15-10-4-5-11-9(2)7-13(14)16-12(11)8-10/h1,4-5,7-8H,6H2,2H3
  • InChiKey: NTNZDKLXIBVSQQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-methyl-7-prop-2-ynoxy-chromen-2-one
  • 4-methyl-7-prop-2-ynoxy-2-chromenone
  • 4-methyl-7-propargyloxy-coumarin
  • 67268-43-3
  • Giparmene [INN-French]
  • Giparmenum [INN-Latin]
  • MLS000038971
  • SMR000034335
  • ZINC01846159
  • EU-0008602
  • STOCK5S-56871
  • 2H-1-Benzopyran-2-one, 4-methyl-7-(2-propynyloxy)-
  • 4-Methyl-7-(2-propynyloxy)-2H-1-benzopyran-2-one
  • 4-Methyl-7-(2-propynyloxy)coumarin
  • 4-Methyl-7-propargyloxy-cumarin [German]
  • Giparmen
  • Giparmen [INN]
  • Giparmena [INN-Spanish]
  • Giparmene

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens androgen receptor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Echinococcus granulosus 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
Schistosoma mansoni ap endonuclease 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii exonuclease III APE 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
Echinococcus multilocularis 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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 mansoni ap 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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum conserved hypothetical protein 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
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi jmjC domain containing protein 0.0071 0.1997 0.1997
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.1997 0.2805
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0145 1
Brugia malayi steroid hormone receptor 0.0021 0.0093 0.0093
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1997 0.2805
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0093 0.0093
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0093 0.0093
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0093 0.013
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0145 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0145 0.0203
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0093 0.013
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0093
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2207 0.2207
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0145 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0093 0.013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0093 0.0093
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2207 0.31
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.1997 0.2805
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0145 0.0145
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0093 0.013
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0093 0.013
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0145 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0093 0.0093
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0093
Brugia malayi TAR-binding protein 0.0076 0.2207 0.2207
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0093 0.013
Onchocerca volvulus 0.0135 0.4457 1
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0093 0.013
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0093 0.013
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0145 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0093
Brugia malayi nuclear receptor NHR-88 0.0021 0.0093 0.0093
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2207 0.31
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0093 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0093 0.0093
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0093 0.013
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0093 0.013
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1997 0.2805
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0093 0.013
Loa Loa (eye worm) RNA binding protein 0.0076 0.2207 0.2207
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0093 0.013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0093 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0093 0.0093
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0145 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0093 0.0093
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0093 0.013
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0093 0.013
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0093 0.013
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0145 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0093 0.0093
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0145 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0093 0.013
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0093 0.013
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0093 0.013
Brugia malayi nuclear hormone receptor 0.0021 0.0093 0.0093
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0145 1
Brugia malayi ecdysteroid receptor 0.0021 0.0093 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0093 0.0093
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0145 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.1997 0.2805
Echinococcus granulosus geminin 0.0205 0.7121 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0093 0.0093
Schistosoma mansoni ap endonuclease 0.0023 0.0145 0.0203
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0093 0.013
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0093
Schistosoma mansoni ap endonuclease 0.0023 0.0145 0.0203
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0093 0.0093
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0093 0.013
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0093 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0093 0.0093
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0145 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.7121 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0145 0.0145
Brugia malayi jmjC domain containing protein 0.0071 0.1997 0.1997
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0093 0.013
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2207 0.31
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2207 0.31
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0093 0.013
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2207 0.2207
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0145 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0093 0.013
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0093 0.013
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0093 0.013
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0093
Schistosoma mansoni hypothetical protein 0.0205 0.7121 1
Echinococcus multilocularis geminin 0.0205 0.7121 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2207 0.2207
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0093 0.0093
Toxoplasma gondii exonuclease III APE 0.0023 0.0145 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0093
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0093 0.013
Schistosoma mansoni coup transcription factor 0.0021 0.0093 0.013
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0093 0.0093
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0145 0.0203
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0093 0.0093
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2207 0.31
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0093 0.013
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.1997 0.2805
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0093 0.013
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0093 0.013
Brugia malayi RNA binding protein 0.0076 0.2207 0.2207
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0093 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0093 0.0093
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0093 0.013
Echinococcus granulosus tar DNA binding protein 0.0076 0.2207 0.31
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2207 0.31
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.1997 0.1997
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0093 0.0093
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0145 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0145 0.5
Schistosoma mansoni jumonji domain containing protein 0.0071 0.1997 0.2805
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0093 0.0093
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0093 0.0093

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0651 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.6822 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (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) 19.9526 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6032 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.1968 uM PUBCHEM_BIOASSAY: S16 Schwann cell PMP22 intronic element firefly luciferase assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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