Detailed information for compound 1295198

Basic information

Technical information
  • TDR Targets ID: 1295198
  • Name: EU-0024070
  • MW: 301.364 | Formula: C15H15N3O2S
  • H donors: 0 H acceptors: 2 LogP: 2.08 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)c1sc2c(c1)c(=O)n1c(n2)cccc1)CC
  • InChi: 1S/C15H15N3O2S/c1-3-17(4-2)15(20)11-9-10-13(21-11)16-12-7-5-6-8-18(12)14(10)19/h5-9H,3-4H2,1-2H3
  • InChiKey: VJUCWKIVLUGIJF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • SMR000016149
  • MLS000101490
  • T5462273
  • ZINC00426841

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Smad4 0.0194 0.0579 0.1302
Loa Loa (eye worm) hypothetical protein 0.1465 0.5087 0.5079
Brugia malayi hypothetical protein 0.0036 0.0018 0.0001
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.0088 0.3023
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0113 0.0291 1
Brugia malayi hypothetical protein 0.0286 0.0903 0.0888
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.0616 0.245
Brugia malayi TAR-binding protein 0.1253 0.4336 0.4326
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.3364 0.775
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1253 0.4336 0.4326
Echinococcus granulosus muscleblind protein 0.018 0.053 0.1189
Brugia malayi Isocitrate dehydrogenase 0.0113 0.0291 0.0275
Echinococcus multilocularis peptidase Clp (S14 family) 0.0059 0.01 0.0193
Schistosoma mansoni hypothetical protein 0.0058 0.0096 0.0185
Brugia malayi MH1 domain containing protein 0.0194 0.0579 0.0563
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0996 1
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0102 0.0197
Schistosoma mansoni tar DNA-binding protein 0.1253 0.4336 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0113 0.0291 0.0275
Loa Loa (eye worm) hypothetical protein 0.0286 0.0903 0.0888
Brugia malayi hypothetical protein 0.0043 0.0044 0.0028
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.009 0.021 0.7209
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0996 1
Brugia malayi N-terminal motif family protein 0.0725 0.2462 0.245
Schistosoma mansoni hypothetical protein 0.0464 0.1534 0.3514
Brugia malayi MH1 domain containing protein 0.0194 0.0579 0.0563
Echinococcus granulosus smad 0.0194 0.0579 0.1302
Loa Loa (eye worm) latrophilin receptor protein 2 0.0464 0.1534 0.152
Brugia malayi RNA binding protein 0.1253 0.4336 0.4326
Schistosoma mansoni Smad4 0.0194 0.0579 0.1302
Loa Loa (eye worm) nuclear factor I 0.0107 0.0271 0.0255
Brugia malayi Probable ClpP-like protease 0.009 0.021 0.0194
Echinococcus multilocularis muscleblind protein 0.018 0.053 0.1189
Loa Loa (eye worm) hypothetical protein 0.0725 0.2462 0.245
Entamoeba histolytica hypothetical protein 0.0043 0.0044 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.0087 0.0198 0.0182
Loa Loa (eye worm) RNA binding protein 0.1253 0.4336 0.4326
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0113 0.0291 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.1465 0.5087 0.5079
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0996 1
Loa Loa (eye worm) TAR-binding protein 0.1253 0.4336 0.4326
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0996 1
Brugia malayi Smad1 0.0194 0.0579 0.0563
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0113 0.0291 0.0636
Schistosoma mansoni smad1 5 8 and 0.0194 0.0579 0.1302
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0113 0.0291 0.0636
Brugia malayi MH2 domain containing protein 0.0194 0.0579 0.0563
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0996 1
Toxoplasma gondii isocitrate dehydrogenase 0.0113 0.0291 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0096 0.0185
Schistosoma mansoni hypothetical protein 0.0464 0.1534 0.3514
Toxoplasma gondii LsmAD domain-containing protein 0.0056 0.0088 0.3023
Loa Loa (eye worm) MH2 domain-containing protein 0.0087 0.0198 0.0182
Entamoeba histolytica hypothetical protein 0.0043 0.0044 0.5
Brugia malayi RNA recognition motif domain containing protein 0.1253 0.4336 0.4326
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0113 0.0291 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0903 0.2052
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.009 0.021 1
Toxoplasma gondii hypothetical protein 0.0036 0.0016 0.056
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0113 0.0291 0.0636
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0194 0.0579 0.1302
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0113 0.0291 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.009 0.021 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0113 0.0291 1
Schistosoma mansoni smad1 5 8 and 0.0194 0.0579 0.1302
Onchocerca volvulus 0.006 0.0102 0.0349
Onchocerca volvulus 0.0058 0.0096 0.0327
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0113 0.0291 0.0636
Echinococcus multilocularis isocitrate dehydrogenase 0.0113 0.0291 0.0636
Loa Loa (eye worm) hypothetical protein 0.0056 0.0088 0.0072
Echinococcus granulosus mothers against decapentaplegic 5 0.0194 0.0579 0.1302
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.0655 0.1027
Brugia malayi Muscleblind-like protein 0.018 0.053 0.0514
Echinococcus multilocularis mothers against decapentaplegic 6 0.0087 0.0198 0.042
Echinococcus granulosus tumor protein p63 0.0408 0.1337 0.3058
Echinococcus granulosus peptidase Clp S14 family 0.0059 0.01 0.0193
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0464 0.1534 0.3514
Brugia malayi isocitrate dehydrogenase 0.0113 0.0291 0.0275
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.0088 0.3023
Echinococcus granulosus tar DNA binding protein 0.1253 0.4336 1
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.0655 0.1027
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0903 0.2052
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0059 0.01 0.4744
Schistosoma mansoni tar DNA-binding protein 0.1253 0.4336 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0113 0.0291 0.0636
Echinococcus multilocularis mothers against decapentaplegic 5 0.0194 0.0579 0.1302
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0464 0.1534 0.3514
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0725 0.2462 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0044 0.0064
Schistosoma mansoni tar DNA-binding protein 0.1253 0.4336 1
Echinococcus multilocularis GPCR, family 2 0.0464 0.1534 0.3514
Loa Loa (eye worm) MH2 domain-containing protein 0.0194 0.0579 0.0563
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0044 0.0064
Brugia malayi MH1 domain containing protein 0.0107 0.0271 0.0255
Schistosoma mansoni hypothetical protein 0.0043 0.0044 0.0064
Plasmodium vivax ataxin-2 like protein, putative 0.0056 0.0088 0.3023
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0464 0.1534 0.3514
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0113 0.0291 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.009 0.021 0.7209
Toxoplasma gondii isocitrate dehydrogenase 0.0113 0.0291 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.053 0.1189
Schistosoma mansoni smad 0.0194 0.0579 0.1302
Loa Loa (eye worm) hypothetical protein 0.018 0.053 0.0514
Schistosoma mansoni smad 0.0087 0.0198 0.042
Schistosoma mansoni smad1 5 8 and 0.0194 0.0579 0.1302
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.009 0.021 0.5
Echinococcus granulosus mothers against decapentaplegic 2 0.0087 0.0198 0.042
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0096 0.008
Schistosoma mansoni Smad4 0.0087 0.0198 0.042
Echinococcus granulosus GPCR family 2 0.0464 0.1534 0.3514
Loa Loa (eye worm) hypothetical protein 0.009 0.021 0.0194
Schistosoma mansoni tar DNA-binding protein 0.1253 0.4336 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0996 1
Loa Loa (eye worm) hypothetical protein 0.0464 0.1534 0.152
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0087 0.0198 0.0741
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0044 0.0064
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0464 0.1534 0.152
Echinococcus multilocularis tar DNA binding protein 0.1253 0.4336 1
Schistosoma mansoni hypothetical protein 0.1001 0.3443 0.7933
Loa Loa (eye worm) hypothetical protein 0.018 0.053 0.0514
Echinococcus multilocularis smad 0.0194 0.0579 0.1302
Brugia malayi MH1 domain containing protein 0.0107 0.0271 0.0255
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0113 0.0291 0.0636
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1465 0.5087 0.5079
Brugia malayi mothers against decapentaplegic homolog 3 0.0087 0.0198 0.0182
Brugia malayi MH2 domain containing protein 0.0194 0.0579 0.0563
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0194 0.0579 0.1302
Entamoeba histolytica hypothetical protein 0.0043 0.0044 0.5
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.0996 0.0981
Schistosoma mansoni tar DNA-binding protein 0.1253 0.4336 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.009 0.021 0.7209
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0464 0.1534 0.3514
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0113 0.0291 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0194 0.0579 0.0563
Schistosoma mansoni hypothetical protein 0.0464 0.1534 0.3514
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0113 0.0291 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.0198 0.0182
Schistosoma mansoni Smad4 0.0087 0.0198 0.042
Echinococcus multilocularis mothers against decapentaplegic 2 0.0087 0.0198 0.042
Loa Loa (eye worm) Smad1 0.0194 0.0579 0.0563
Echinococcus granulosus TGF beta signal transducer SmadC 0.0194 0.0579 0.1302
Echinococcus multilocularis Smad4 0.0194 0.0579 0.1302
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.009 0.021 0.5
Brugia malayi hypothetical protein 0.0056 0.0088 0.0072
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.009 0.021 0.7209
Echinococcus multilocularis tumor protein p63 0.0408 0.1337 0.3058
Brugia malayi MH2 domain containing protein 0.0087 0.0198 0.0182
Schistosoma mansoni hypothetical protein 0.0464 0.1534 0.3514
Entamoeba histolytica hypothetical protein 0.0043 0.0044 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.009 0.021 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.009 0.021 1
Loa Loa (eye worm) hypothetical protein 0.1001 0.3443 0.3432
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.009 0.021 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.009 0.021 0.0448
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1465 0.5087 0.5079
Brugia malayi Latrophilin receptor protein 2 0.0464 0.1534 0.152
Brugia malayi latrophilin 2 splice variant baaae 0.1001 0.3443 0.3432
Echinococcus granulosus mothers against decapentaplegic 6 0.0087 0.0198 0.042
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.009 0.021 0.0448
Loa Loa (eye worm) hypothetical protein 0.0107 0.0271 0.0255
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.0996 0.0981
Schistosoma mansoni peptidase Clp (S14 family) 0.009 0.021 0.0448
Loa Loa (eye worm) hypothetical protein 0.006 0.0102 0.0085

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.2213 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 10 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 18.3564 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) = 22.3872 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) 22.3872 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) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) = 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 (binding) = 28.1838 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) = 31.6228 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) = 31.6228 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. qHTS Assay for Inhibitors of Human alpha-Galactosidase at pH 4.5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] 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
Potency (functional) 70.7946 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

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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