Detailed information for compound 1382374

Basic information

Technical information
  • TDR Targets ID: 1382374
  • Name: 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2H-quin azolin-4-one
  • MW: 296.321 | Formula: C17H16N2O3
  • H donors: 0 H acceptors: 1 LogP: 2.72 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(C)C(c2ccc3c(c2)OCO3)N(c2c1cccc2)C
  • InChi: 1S/C17H16N2O3/c1-18-13-6-4-3-5-12(13)17(20)19(2)16(18)11-7-8-14-15(9-11)22-10-21-14/h3-9,16H,10H2,1-2H3
  • InChiKey: LVPALJVOMJSLQI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • BAS 00883531
  • 2-Benzo[1,3]dioxol-5-yl-1,3-dimethyl-2,3-dihydro-1H-quinazolin-4-one
  • MLS000027905
  • SMR000009684

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens snurportin 1 No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens caspase 7, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Schistosoma japonicum ko:K04397 caspase 7, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K02187 caspase 3, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis caspase Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus caspase Get druggable targets OG5_130238 All targets in OG5_130238
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni caspase-7 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni caspase-3 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
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 %
Brugia malayi Cell death protein 3 precursor caspase 7, apoptosis-related cysteine peptidase 303 aa 256 aa 37.1 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis snurportin 1 0.0372 1 1
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0022 0.0125 0.0125
Brugia malayi isocitrate dehydrogenase 0.018 0.459 1
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0412 1
Schistosoma mansoni hypothetical protein 0.0372 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0427 0.093
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0305 0.6252
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0412 1
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0412 1
Echinococcus multilocularis importin subunit beta 1 0.0035 0.049 0.037
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0412 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0427 0.0306
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.018 0.459 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.018 0.459 0.459
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0305 0.6252
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.018 0.459 0.4521
Entamoeba histolytica hypothetical protein 0.0028 0.0305 1
Brugia malayi Importin beta-1 subunit 0.0035 0.049 0.1069
Onchocerca volvulus 0.0033 0.0427 1
Schistosoma mansoni lamin 0.0033 0.0427 0.0306
Echinococcus multilocularis lamin dm0 0.0033 0.0427 0.0306
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0412 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0412 1
Brugia malayi intermediate filament protein 0.0033 0.0427 0.093
Brugia malayi Probable isocitrate dehydrogenase 0.0022 0.0125 0.0272
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.018 0.459 1
Plasmodium vivax importin-beta 2, putative 0.0035 0.049 0.0187
Schistosoma mansoni caspase-7 (C14 family) 0.012 0.2891 0.2801
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.012 0.2891 0.2801
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.018 0.459 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.049 0.049
Toxoplasma gondii isocitrate dehydrogenase 0.018 0.459 1
Echinococcus granulosus caspase 8 0.0032 0.0412 0.0291
Echinococcus granulosus lamin dm0 0.0033 0.0427 0.0306
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.018 0.459 0.4521
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.018 0.459 0.4521
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.049 0.0187
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0412 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Echinococcus multilocularis caspase 2 0.0032 0.0412 0.0291
Loa Loa (eye worm) hypothetical protein 0.0032 0.0412 0.0412
Schistosoma mansoni caspase-3 (C14 family) 0.012 0.2891 0.2801
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0412 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0022 0.0125 0.0272
Brugia malayi RNA, U transporter 1 0.0099 0.2303 0.5017
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0022 0.0125 0.5
Brugia malayi Cell death protein 3 precursor 0.0032 0.0412 0.0898
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0022 0.0125 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.018 0.459 0.4521
Loa Loa (eye worm) hypothetical protein 0.0022 0.0125 0.0125
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.012 0.2891 0.2801
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.018 0.459 0.4521
Leishmania major metacaspase, putative 0.0032 0.0412 0.0644
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0412 1
Schistosoma mansoni caspase-7 (C14 family) 0.0032 0.0412 0.0291
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0412 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.018 0.459 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.018 0.459 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0412 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.018 0.459 1
Trypanosoma cruzi metacaspase, putative 0.0032 0.0412 0.0251
Echinococcus multilocularis caspase 3 0.0088 0.1986 0.1885
Trypanosoma cruzi metacaspase, putative 0.0032 0.0412 0.0251
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0412 1
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.049 0.0187
Schistosoma mansoni lamin 0.0033 0.0427 0.0306
Loa Loa (eye worm) hypothetical protein 0.0032 0.041 0.041
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.0412 0.0251
Onchocerca volvulus 0.0033 0.0427 1
Echinococcus granulosus importin subunit beta 1 0.0035 0.049 0.037
Leishmania major importin beta-1 subunit, putative 0.0028 0.0305 0.0402
Trypanosoma cruzi metacaspase, putative 0.0032 0.0412 0.0251
Toxoplasma gondii isocitrate dehydrogenase 0.018 0.459 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.049 0.0187
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0022 0.0125 0.5
Echinococcus multilocularis musashi 0.0033 0.0427 0.0306
Trypanosoma brucei isocitrate dehydrogenase, putative 0.018 0.459 1
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.0412 0.0251
Echinococcus multilocularis caspase 8 0.0032 0.0412 0.0291
Loa Loa (eye worm) hypothetical protein 0.0033 0.0427 0.0427
Brugia malayi Isocitrate dehydrogenase 0.018 0.459 1
Echinococcus granulosus caspase 0.012 0.2891 0.2801
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0022 0.0125 0.0272
Trypanosoma cruzi metacaspase, putative 0.0032 0.0412 0.0251
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0412 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0412 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.018 0.459 0.4521
Echinococcus granulosus caspase 2 0.0032 0.0412 0.0291
Plasmodium falciparum importin beta, putative 0.0035 0.049 0.0187
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0427 0.0427
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0032 0.0412 0.0898
Schistosoma mansoni intermediate filament proteins 0.0033 0.0427 0.0306
Echinococcus multilocularis lamin 0.0033 0.0427 0.0306
Brugia malayi Probable isocitrate dehydrogenase 0.0022 0.0125 0.0272
Echinococcus multilocularis caspase 0.012 0.2891 0.2801
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.018 0.459 0.4521
Echinococcus granulosus lamin 0.0033 0.0427 0.0306
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0032 0.0412 0.0291
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0022 0.0125 0.0272
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0412 1
Schistosoma mansoni importin beta-1 0.0035 0.049 0.037
Loa Loa (eye worm) hypothetical protein 0.0032 0.0412 0.0412
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0427 0.0427
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0305 0.6252
Echinococcus granulosus caspase 3 0.0088 0.1986 0.1885
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.018 0.459 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) 69.493 uM PubChem BioAssay. Fluorescence Intensity-based biochemical primary high throughput dose response assay to identify activators of kallikrein-7 (K7) zymogen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.3162 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 10.4179 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) = 25.1189 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) 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) 28.1838 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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) 50.1187 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

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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