Detailed information for compound 1236534

Basic information

Technical information
  • TDR Targets ID: 1236534
  • Name: 2-(2,2-dimethyl-1,1,4-trioxo-3H-benzo[b][1,4] thiazepin-5-yl)acetic acid
  • MW: 297.327 | Formula: C13H15NO5S
  • H donors: 1 H acceptors: 5 LogP: 0.44 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CN1C(=O)CC(S(=O)(=O)c2c1cccc2)(C)C
  • InChi: 1S/C13H15NO5S/c1-13(2)7-11(15)14(8-12(16)17)9-5-3-4-6-10(9)20(13,18)19/h3-6H,7-8H2,1-2H3,(H,16,17)
  • InChiKey: XSZVWSFTLWWYOY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(1,1,4-triketo-2,2-dimethyl-3H-benzo[b][1,4]thiazepin-5-yl)acetic acid
  • 2-(2,2-dimethyl-1,1,4-trioxo-3H-benzo[b][1,4]thiazepin-5-yl)ethanoic acid
  • MLS000120753
  • SMR000097595

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
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
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
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
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Steroid receptor seven-up type 2 0.0289 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0289 1 1
Brugia malayi nuclear receptor RXR 0.0152 0.4167 0.4167
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0136 0.3467 0.3467
Loa Loa (eye worm) hypothetical protein 0.0136 0.3467 0.3467
Loa Loa (eye worm) hypothetical protein 0.0289 1 1
Schistosoma mansoni thyroid hormone receptor 0.0289 1 1
Brugia malayi ecdysone receptor 0.0136 0.3467 0.3467
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0152 0.4167 0.4167
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0289 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0289 1 1
Brugia malayi nuclear receptor NHR-88 0.0136 0.3467 0.3467
Schistosoma mansoni nuclear hormone receptor 0.0136 0.3467 0.3467
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0289 1 1
Loa Loa (eye worm) hypothetical protein 0.0289 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0289 1 1
Brugia malayi nuclear receptor RXR 0.0136 0.3467 0.3467
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0136 0.3467 0.3467
Echinococcus multilocularis FTZ F1 alpha 0.0289 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0289 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.3467 0.3467
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0289 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0289 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0289 1 1
Schistosoma mansoni thyroid hormone receptor 0.0289 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0152 0.4167 0.4167
Brugia malayi steroid hormone receptor 0.0289 1 1
Schistosoma mansoni nuclear receptor 0.0136 0.3467 0.3467
Brugia malayi hypothetical protein 0.0152 0.4167 0.4167
Brugia malayi Nuclear hormone receptor E75 0.0136 0.3467 0.3467
Brugia malayi nuclear receptor NHR-67 0.0136 0.3467 0.3467
Loa Loa (eye worm) hypothetical protein 0.0152 0.4167 0.4167
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0136 0.3467 0.3467
Brugia malayi hypothetical protein 0.0136 0.3467 0.3467
Schistosoma mansoni retinoic acid receptor RXR 0.0289 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0289 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0289 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0152 0.4167 0.4167
Schistosoma mansoni nuclear hormone receptor 0.0136 0.3467 0.3467
Schistosoma mansoni zinc finger protein 0.0136 0.3467 0.3467
Echinococcus granulosus FTZ F1 alpha 0.0289 1 1
Loa Loa (eye worm) DR-78 0.0136 0.3467 0.3467
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0289 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0289 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0136 0.3467 0.3467
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0289 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0289 1 1
Loa Loa (eye worm) hypothetical protein 0.0289 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0289 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0289 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0289 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.3467 0.3467
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0136 0.3467 0.3467
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0289 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0136 0.3467 0.3467
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0289 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0136 0.3467 0.3467
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0289 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0136 0.3467 0.3467
Schistosoma mansoni nuclear receptor 0.0136 0.3467 0.3467
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0136 0.3467 0.3467
Schistosoma mansoni nuclear hormone receptor 0.0289 1 1
Brugia malayi Nuclear hormone receptor E75 0.0136 0.3467 0.3467
Loa Loa (eye worm) hypothetical protein 0.0136 0.3467 0.3467
Loa Loa (eye worm) hypothetical protein 0.0136 0.3467 0.3467
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0289 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0289 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0136 0.3467 0.3467
Onchocerca volvulus Protein ultraspiracle homolog 0.0289 1 1
Brugia malayi conserved hypotetical protein 0.0136 0.3467 0.3467
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0289 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0289 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0152 0.4167 0.4167
Loa Loa (eye worm) hypothetical protein 0.0136 0.3467 0.3467
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0289 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0136 0.3467 0.3467
Loa Loa (eye worm) hypothetical protein 0.0136 0.3467 0.3467
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0289 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.4167 0.4167
Brugia malayi hypothetical protein 0.0136 0.3467 0.3467
Loa Loa (eye worm) hypothetical protein 0.0136 0.3467 0.3467
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0289 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0136 0.3467 0.3467
Loa Loa (eye worm) hypothetical protein 0.0289 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0136 0.3467 0.3467
Brugia malayi nuclear hormone receptor 0.0289 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0289 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0136 0.3467 0.3467
Loa Loa (eye worm) hypothetical protein 0.0136 0.3467 0.3467
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0289 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0289 1 1
Onchocerca volvulus 0.0289 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0289 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0289 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0289 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0289 1 1
Loa Loa (eye worm) hypothetical protein 0.0289 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.4167 0.4167
Brugia malayi hypothetical protein 0.0152 0.4167 0.4167
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0289 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0289 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.4167 0.4167
Loa Loa (eye worm) hypothetical protein 0.0289 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0152 0.4167 0.4167
Loa Loa (eye worm) nuclear receptor NHR-67 0.0136 0.3467 0.3467
Loa Loa (eye worm) hypothetical protein 0.0289 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0289 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0289 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.4167 0.4167
Loa Loa (eye worm) hypothetical protein 0.0136 0.3467 0.3467
Schistosoma mansoni coup transcription factor 0.0289 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0136 0.3467 0.3467
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0289 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.3467 0.3467
Brugia malayi photoreceptor-specific nuclear receptor 0.0289 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0289 1 1
Brugia malayi tailless protein 0.0136 0.3467 0.3467
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0289 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0289 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0136 0.3467 0.3467
Brugia malayi Nuclear hormone receptor-like 1 0.0152 0.4167 0.4167
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0152 0.4167 0.4167
Brugia malayi nuclear receptor NHR-88 0.0289 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0136 0.3467 0.3467
Schistosoma mansoni RAR-like nuclear receptor 0.0289 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0289 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.3467 0.3467
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0289 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0136 0.3467 0.3467
Echinococcus granulosus nuclear receptor nhr 48 0.0136 0.3467 0.3467
Brugia malayi nuclear hormone receptor 0.0136 0.3467 0.3467
Echinococcus multilocularis thyroid hormone receptor alpha 0.0289 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.3467 0.3467
Loa Loa (eye worm) hypothetical protein 0.0289 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0136 0.3467 0.3467
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0289 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0136 0.3467 0.3467

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 um PUBCHEM_BIOASSAY: Chemical Antagonists IAP-family anti-apoptotic proteins. (Class of assay: confirmatory) [Related pubchem assays: 1513, 1514, 1449 ] ChEMBL. No reference
IC50 (binding) > 100 uM PUBCHEM_BIOASSAY: Counter Screen using XIAP-Bir3 for Chemical Antagonists of Bir1/2 domains of IAP-family anti-apoptotic proteins. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1018, AID1449, AID1514, AID1638, AID1749, AID1750, AID488957, AID488963] ChEMBL. No reference
Potency (functional) 1.5849 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 4.4668 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) 8.2753 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 39.8107 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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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