Detailed information for compound 782016

Basic information

Technical information
  • TDR Targets ID: 782016
  • Name: ethyl 4-[4-(4-fluorophenyl)-3-furan-2-yl-6-ox o-2,4-dihydropyrrolo[4,3-c]pyrazol-5-yl]benzo ate
  • MW: 431.416 | Formula: C24H18FN3O4
  • H donors: 1 H acceptors: 3 LogP: 3.92 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)N1C(c2ccc(cc2)F)c2c(C1=O)[nH]nc2c1ccco1
  • InChi: 1S/C24H18FN3O4/c1-2-31-24(30)15-7-11-17(12-8-15)28-22(14-5-9-16(25)10-6-14)19-20(18-4-3-13-32-18)26-27-21(19)23(28)29/h3-13,22H,2H2,1H3,(H,26,27)
  • InChiKey: VGHIMCGNYSTFGE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 4-[4-(4-fluorophenyl)-3-(2-furyl)-6-oxo-2,4-dihydropyrrolo[4,3-c]pyrazol-5-yl]benzoate
  • 4-[4-(4-fluorophenyl)-3-(2-furyl)-6-oxo-2,4-dihydropyrrolo[4,3-c]pyrazol-5-yl]benzoic acid ethyl ester
  • 4-[4-(4-fluorophenyl)-3-(2-furyl)-6-keto-2,4-dihydropyrrolo[4,3-c]pyrazol-5-yl]benzoic acid ethyl ester
  • NCGC00108585-01
  • A3951/0168303
  • C390-0479

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0774 0.0707
Schistosoma mansoni neuroligin 3 (S09 family) 0.0114 0.1228 0.1165
Brugia malayi Pre-SET motif family protein 0.0251 0.2905 0.3551
Echinococcus granulosus tar DNA binding protein 0.0076 0.0774 0.0707
Schistosoma mansoni hypothetical protein 0.0019 0.0073 0.0002
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0073 0.0002
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0071 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0281 0.5
Schistosoma mansoni gliotactin 0.0114 0.1228 0.1165
Leishmania major DNA polymerase kappa, putative 0.0019 0.0071 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0281 0.0211
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0071 1
Loa Loa (eye worm) hypothetical protein 0.0673 0.8051 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0073 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0071 1
Echinococcus multilocularis fatty acid binding protein FABP2 0.0034 0.0259 0.0188
Schistosoma mansoni acetylcholinesterase 0.0114 0.1228 0.1165
Schistosoma mansoni survival motor neuron protein 0.0058 0.0551 0.0483
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0071 1
Echinococcus granulosus carboxylesterase 5A 0.0673 0.8051 0.8037
Schistosoma mansoni fatty acid binding protein 0.0034 0.0259 0.0188
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0774 0.088
Echinococcus multilocularis para nitrobenzyl esterase 0.0114 0.1228 0.1165
Loa Loa (eye worm) RNA binding protein 0.0076 0.0774 0.088
Echinococcus multilocularis acetylcholinesterase 0.0673 0.8051 0.8037
Onchocerca volvulus 0.0058 0.0551 0.0888
Onchocerca volvulus 0.006 0.0569 0.0947
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2905 0.3551
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0551 0.0601
Loa Loa (eye worm) acetylcholinesterase 1 0.0673 0.8051 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0071 1
Schistosoma mansoni hypothetical protein 0.0041 0.0343 0.0273
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0264 0.0194
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1599 0.1914
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0071 0.5
Onchocerca volvulus 0.0114 0.1228 0.311
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0774 0.0707
Giardia lamblia DINP protein human, muc B family 0.0019 0.0071 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0281 0.0211
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0281 0.0211
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0073 0.0002
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0774 0.088
Loa Loa (eye worm) hypothetical protein 0.0114 0.1228 0.145
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0071 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0071 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 0.1228 0.145
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0575 0.0631
Plasmodium vivax SET domain protein, putative 0.0036 0.0281 0.5
Brugia malayi follicle stimulating hormone receptor 0.0227 0.2605 0.3175
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0673 0.8051 0.8037
Schistosoma mansoni hypothetical protein 0.0019 0.0073 0.0002
Echinococcus granulosus fatty acid binding protein FABP2 0.0034 0.0259 0.0188
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0114 0.1228 0.1165
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0114 0.1228 1
Schistosoma mansoni hypothetical protein 0.0019 0.0073 0.0002
Mycobacterium ulcerans carboxylesterase, LipT 0.0114 0.1228 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.1228 0.145
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0114 0.1228 1
Onchocerca volvulus 0.0114 0.1228 0.311
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0774 0.0707
Loa Loa (eye worm) hypothetical protein 0.0114 0.1228 0.145
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0073 0.0002
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0281 0.0211
Trypanosoma brucei unspecified product 0.0019 0.0071 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0071 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.1228 0.145
Loa Loa (eye worm) hypothetical protein 0.0041 0.0343 0.034
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein 0.0517 0.6143 0.7609
Echinococcus granulosus acetylcholinesterase 0.0673 0.8051 0.8037
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0281 0.0211
Brugia malayi Pre-SET motif family protein 0.0036 0.0281 0.0262
Brugia malayi RNA binding protein 0.0076 0.0774 0.088
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0073 0.0002
Loa Loa (eye worm) hypothetical protein 0.006 0.0569 0.0624
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0073 0.0002
Brugia malayi TAR-binding protein 0.0076 0.0774 0.088
Loa Loa (eye worm) carboxylesterase 0.0114 0.1228 0.145
Brugia malayi Carboxylesterase family protein 0.0114 0.1228 0.145
Loa Loa (eye worm) hypothetical protein 0.0114 0.1228 0.145
Onchocerca volvulus 0.0114 0.1228 0.311
Onchocerca volvulus 0.0286 0.3328 1
Brugia malayi hypothetical protein 0.0286 0.3322 0.4074
Echinococcus granulosus GPCR family 2 0.0019 0.0073 0.0002
Brugia malayi hypothetical protein 0.0114 0.1228 0.145
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0071 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3328 1
Echinococcus multilocularis neuroligin 0.0114 0.1228 0.1165
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0114 0.1228 0.1165
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0073 0.0002
Echinococcus multilocularis tumor protein p63 0.0408 0.4815 0.4778
Loa Loa (eye worm) hypothetical protein 0.0114 0.1228 0.145
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0114 0.1228 0.1165
Onchocerca volvulus 0.0114 0.1228 0.311
Echinococcus multilocularis BC026374 protein (S09 family) 0.0114 0.1228 0.1165
Brugia malayi Carboxylesterase family protein 0.0114 0.1228 0.145
Echinococcus multilocularis GPCR, family 2 0.0019 0.0073 0.0002
Onchocerca volvulus 0.0114 0.1228 0.311
Schistosoma mansoni hypothetical protein 0.0019 0.0073 0.0002
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0073 0.0002
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0071 1
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0071 1
Echinococcus multilocularis carboxylesterase 5A 0.0673 0.8051 0.8037
Schistosoma mansoni BC026374 protein (S09 family) 0.0114 0.1228 0.1165
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0281 0.0211
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0071 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0071 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0114 0.1228 0.1165
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0774 0.0707
Leishmania major DNA polymerase eta, putative 0.0019 0.0071 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0343 0.034
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0774 0.0707
Echinococcus granulosus neuroligin 0.0114 0.1228 0.1165
Brugia malayi MH2 domain containing protein 0.0144 0.1599 0.1914
Echinococcus multilocularis fatty acid binding protein FABP2 0.0034 0.0259 0.0188
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0774 0.0707
Schistosoma mansoni fatty acid binding protein 0.0034 0.0259 0.0188
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0114 0.1228 0.3552
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3322 0.3274
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0575 0.0631
Brugia malayi Carboxylesterase family protein 0.0673 0.8051 1
Echinococcus granulosus BC026374 protein S09 family 0.0114 0.1228 0.1165
Brugia malayi Carboxylesterase family protein 0.0114 0.1228 0.145
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0575 0.0631
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1599 0.1914
Mycobacterium tuberculosis Carboxylesterase LipT 0.0114 0.1228 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0281 0.0211
Trichomonas vaginalis spcc417.12 protein, putative 0.0114 0.1228 0.3552
Echinococcus multilocularis acetylcholinesterase 0.0673 0.8051 0.8037
Loa Loa (eye worm) carboxylesterase 0.0114 0.1228 0.145
Loa Loa (eye worm) hypothetical protein 0.006 0.0575 0.0631
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein 0.0517 0.6143 0.7609
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0071 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0071 1
Loa Loa (eye worm) hypothetical protein 0.0673 0.8051 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0281 0.0262
Echinococcus granulosus fatty acid binding protein FABP2 0.0034 0.0259 0.0188
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0071 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Brugia malayi Carboxylesterase family protein 0.0673 0.8051 1
Echinococcus granulosus acetylcholinesterase 0.0673 0.8051 0.8037
Brugia malayi Carboxylesterase family protein 0.0114 0.1228 0.145
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0071 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0071 1
Schistosoma mansoni hypothetical protein 0.0058 0.0551 0.0483
Echinococcus granulosus para nitrobenzyl esterase 0.0114 0.1228 0.1165
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3322 0.3274
Echinococcus granulosus tumor protein p63 0.0408 0.4815 0.4778
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0071 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.2605 0.3175
Loa Loa (eye worm) carboxylesterase 0.0673 0.8051 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0071 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0774 0.088
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0114 0.1228 0.1165
Loa Loa (eye worm) hypothetical protein 0.0286 0.3322 0.4074
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0569 0.0501

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 11.2202 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) 11.2202 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) 22.3872 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) 25.929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) = 39.8107 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) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 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) 44.6684 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) 44.6684 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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