Detailed information for compound 1271301

Basic information

Technical information
  • TDR Targets ID: 1271301
  • Name: 3-[4-(difluoromethylsulfanyl)phenyl]-1-(4-hyd roxyphenyl)-1-methylthiourea
  • MW: 340.411 | Formula: C15H14F2N2OS2
  • H donors: 1 H acceptors: 1 LogP: 4.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(Sc1ccc(cc1)N=C(N(c1ccc(cc1)O)C)S)F
  • InChi: 1S/C15H14F2N2OS2/c1-19(11-4-6-12(20)7-5-11)15(21)18-10-2-8-13(9-3-10)22-14(16)17/h2-9,14,20H,1H3,(H,18,21)
  • InChiKey: WLURKZASRPSMBH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[4-(difluoromethylsulfanyl)phenyl]-1-(4-hydroxyphenyl)-1-methyl-thiourea
  • 3-[4-(difluoromethylthio)phenyl]-1-(4-hydroxyphenyl)-1-methylthiourea
  • 3-[4-(difluoromethylthio)phenyl]-1-(4-hydroxyphenyl)-1-methyl-thiourea
  • T5291867
  • MLS000707748
  • SMR000243966
  • ZINC03398275

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
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 glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0115 0.0082 0.3145
Schistosoma mansoni hypothetical protein 0.0041 0.0007 0.0064
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0016 0.0201
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0037 0.0439
Trypanosoma brucei polo-like protein kinase 0.0115 0.0082 1
Trichomonas vaginalis CAMK family protein kinase 0.0057 0.0023 0.0202
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0326 1
Brugia malayi Pre-SET motif family protein 0.0251 0.0222 0.8628
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0082 0.2109
Schistosoma mansoni survival motor neuron protein 0.0058 0.0024 0.0278
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0016 0.0201
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0115 0.0082 0.0984
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0037 0.0439
Brugia malayi MAP kinase sur-1 0.0051 0.0016 0.0592
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0326 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.0819 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0007 0.0205
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0037 0.0439
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0026 0.0968
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0037 0.0455
Brugia malayi serine/threonine-protein kinase plk-2 0.0115 0.0082 0.3145
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0326 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0026 0.0968
Onchocerca volvulus 0.0058 0.0024 0.0888
Trypanosoma cruzi polo-like protein kinase, putative 0.0115 0.0082 1
Onchocerca volvulus 0.0286 0.0258 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0326 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0115 0.0082 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0326 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0026 0.0968
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0082 0.2109
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0007 0.0205
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0026 0.0968
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.004 0.0483
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0016 0.0185
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0222 0.8628
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0257 0.313
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0257 0.3141
Schistosoma mansoni serine/threonine protein kinase 0.0115 0.0082 0.0984
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0037 0.0455
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0082 0.2109
Mycobacterium ulcerans AcrR family transcriptional regulator 0.9791 1 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0016 0.0185
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.004 0.0468
Trichomonas vaginalis CAMK family protein kinase 0.0057 0.0023 0.0202
Loa Loa (eye worm) hypothetical protein 0.0286 0.0257 1
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0082 0.2109
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0016 0.0592
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.0326 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0326 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.0141 0.0102
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.004 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.004 0.3533
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.0326 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0258 0.7786
Echinococcus granulosus microtubule associated protein 2 0.0833 0.0819 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0024 0.089
Brugia malayi jmjC domain containing protein 0.0071 0.0037 0.1402
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.004 0.0468
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0082 0.2109
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0016 0.0185
Schistosoma mansoni kinase 0.0058 0.0024 0.0281
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.0326 1
Brugia malayi jmjC domain containing protein 0.0071 0.0037 0.1402
Mycobacterium ulcerans TetR family transcriptional regulator 0.9791 1 1
Mycobacterium ulcerans transcriptional regulator 0.9791 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0037 0.0439
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0326 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.0141 0.0102
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.004 0.0468
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0326 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.0326 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0037 0.0439
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0082 0.2109
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0115 0.0082 0.0999
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.0819 1
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0082 0.2109
Plasmodium vivax SET domain protein, putative 0.0036 0.0001 0.5
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.9791 1 1
Brugia malayi hypothetical protein 0.0286 0.0257 1
Giardia lamblia Kinase, PLK 0.0115 0.0082 0.2109
Trypanosoma cruzi polo-like protein kinase, putative 0.0115 0.0082 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0016 0.3961
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0037 0.1402
Schistosoma mansoni hypothetical protein 0.0058 0.0024 0.0278
Onchocerca volvulus Serine\/threonine kinase homolog 0.0115 0.0082 0.3139
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0001 0.0017

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 50 um PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay using a high concentration of mannose 6-phosphate. (Class of assay: confirmatory) [Related pubchem assays: 1209 ] ChEMBL. No reference
Potency (functional) 1.4125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5059 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (binding) = 2.5119 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 6.3096 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) = 7.0795 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.8876 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 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 Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 39.8107 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) = 44.6684 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 70.7946 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 Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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