Detailed information for compound 1411925

Basic information

Technical information
  • TDR Targets ID: 1411925
  • Name: ethyl 2-(2,3-dihydro-1,4-benzodioxine-7-carbo nylamino)-5-ethylthiophene-3-carboxylate
  • MW: 361.412 | Formula: C18H19NO5S
  • H donors: 1 H acceptors: 2 LogP: 4.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cc(sc1NC(=O)c1ccc2c(c1)OCCO2)CC
  • InChi: 1S/C18H19NO5S/c1-3-12-10-13(18(21)22-4-2)17(25-12)19-16(20)11-5-6-14-15(9-11)24-8-7-23-14/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20)
  • InChiKey: XHASPIQPOSWHTQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 2-(2,3-dihydro-1,4-benzodioxine-7-carbonylamino)-5-ethyl-thiophene-3-carboxylate
  • 2-[(2,3-dihydro-1,4-benzodioxin-7-yl-oxomethyl)amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester
  • 2-(2,3-dihydro-1,4-benzodioxine-7-carbonylamino)-5-ethyl-thiophene-3-carboxylic acid ethyl ester
  • ethyl 2-(2,3-dihydro-1,4-benzodioxin-7-ylcarbonylamino)-5-ethyl-thiophene-3-carboxylate
  • ZINC00707398
  • Oprea1_781262
  • 2-[(2,3-Dihydro-benzo[1,4]dioxine-6-carbonyl)-amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester
  • MLS000529167
  • BAS 00850890
  • AG-205/12145064
  • SMR000121642
  • A1850/0077867
  • Oprea1_262204

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B 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
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
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
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
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
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis carbonic anhydrase II 0.0706 0.842 0.842
Onchocerca volvulus 0.007 0.0531 0.4662
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0013 0.5
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0073 0.0565 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0202 0.0343
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0316 0.3587 0.4236
Entamoeba histolytica acetyltransferase, putative 0.0073 0.0565 0.1004
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0557 0.0557
Mycobacterium tuberculosis Conserved protein 0.0043 0.0202 0.0611
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0706 0.842 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0202 0.0343
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0202 0.0611
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0316 0.3587 0.4236
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0073 0.0565 0.1785
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0316 0.3587 0.4119
Loa Loa (eye worm) hypothetical protein 0.0316 0.3587 0.4119
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0348 0.0348
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3108 1
Echinococcus multilocularis carbonic anhydrase 0.0316 0.3587 0.3587
Plasmodium falciparum carbonic anhydrase 0.0316 0.3587 1
Mycobacterium ulcerans transferase 0.007 0.0531 0.0942
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0908 0.0908
Toxoplasma gondii ABC1 family protein 0.0043 0.0202 0.0529
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0531 0.1652
Mycobacterium ulcerans lipase LipD 0.0043 0.0202 0.0343
Trichomonas vaginalis conserved hypothetical protein 0.0204 0.2194 1
Mycobacterium tuberculosis Possible siderophore-binding protein 0.0042 0.018 0.0542
Entamoeba histolytica carbonic anhydrase, putative 0.0472 0.5517 1
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.007 0.0531 0.1652
Toxoplasma gondii hypothetical protein 0.0316 0.3587 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0706 0.842 1
Mycobacterium ulcerans carbonic anhydrase 0.0204 0.2194 0.3963
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0201 0.0201
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0268 0.2985 0.9602
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0348 0.0348
Schistosoma mansoni bromodomain containing protein 0.0076 0.061 0.061
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0348 0.0372
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0202 0.0611
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0202 0.0611
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.0042 0.018 0.0305
Mycobacterium leprae Probable lipase LipE 0.0043 0.0202 0.0343
Loa Loa (eye worm) hypothetical protein 0.0316 0.3587 0.4119
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0202 0.0202
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0202 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0202 0.0611
Mycobacterium ulcerans hypothetical protein 0.0042 0.018 0.0305
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0706 0.842 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0202 0.0202
Loa Loa (eye worm) hypothetical protein 0.0046 0.0237 0.0043
Entamoeba histolytica ankyrin, putative 0.0073 0.0565 0.1004
Schistosoma mansoni carbonic anhydrase-related 0.0316 0.3587 0.3587
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.0013 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0202 0.0202
Echinococcus granulosus carbonic anhydrase 0.0316 0.3587 0.3587
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0348 0.0348
Mycobacterium leprae PROBABLE TRANSFERASE 0.007 0.0531 0.0942
Brugia malayi beta-lactamase family protein 0.0043 0.0202 0.0198
Mycobacterium tuberculosis Conserved protein 0.0043 0.0202 0.0611
Loa Loa (eye worm) carbonic anhydrase 3 0.0706 0.842 1
Echinococcus multilocularis carbonic anhydrase 0.0316 0.3587 0.3587
Brugia malayi beta-lactamase family protein 0.0043 0.0202 0.0198
Onchocerca volvulus 0.01 0.0908 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0202 0.0026
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0706 0.842 0.842
Leishmania major carbonic anhydrase family protein, putative 0.0472 0.5517 0.6547
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.018 0.0199
Schistosoma mansoni hypothetical protein 0.0316 0.3587 0.3587
Schistosoma mansoni carbonic anhydrase 0.0472 0.5517 0.5517
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0202 0.0026
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0073 0.0565 1
Echinococcus granulosus carbonic anhydrase II 0.0706 0.842 0.842
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0706 0.842 0.842
Loa Loa (eye worm) hypothetical protein 0.0085 0.0722 0.0633
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Wolbachia endosymbiont of Brugia malayi carbonic anhydrase 0.0042 0.018 0.3033
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0348 0.0177
Echinococcus granulosus carbonic anhydrase 0.0316 0.3587 0.3587
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0202 0.0343
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0348 0.0348
Echinococcus granulosus dynactin 5 p25 0.0073 0.0565 0.0565
Trichomonas vaginalis conserved hypothetical protein 0.0204 0.2194 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0348 0.0348
Brugia malayi beta-lactamase 0.0043 0.0202 0.0198
Leishmania major carbonic anhydrase-like protein 0.0706 0.842 1
Echinococcus granulosus carbonic anhydrase 0.0316 0.3587 0.3587
Echinococcus multilocularis carbonic anhydrase 0.0316 0.3587 0.3587
Mycobacterium ulcerans hypothetical protein 0.0043 0.0202 0.0343
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0201 0.0201
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0706 0.842 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0316 0.3587 0.4236
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0204 0.2194 0.7047
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0202 0.0611
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0202 0.0611
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0557 0.0557
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0316 0.3587 0.4236
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0706 0.842 1
Loa Loa (eye worm) hypothetical protein 0.0316 0.3587 0.4119
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0202 0.0198
Loa Loa (eye worm) hypothetical protein 0.0049 0.0273 0.0086
Leishmania major hypothetical protein, conserved 0.0043 0.0202 0.0225
Mycobacterium ulcerans carbonic anhydrase 0.0472 0.5517 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0316 0.3587 0.4236
Mycobacterium ulcerans beta-lactamase 0.0043 0.0202 0.0343
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0348 0.0348
Schistosoma mansoni carbonic anhydrase-related 0.0316 0.3587 0.3587
Loa Loa (eye worm) hypothetical protein 0.0052 0.0301 0.0121
Loa Loa (eye worm) hypothetical protein 0.01 0.0908 0.0859
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0202 0.0225
Schistosoma mansoni carbonic anhydrase 0.0316 0.3587 0.3587
Brugia malayi Bromodomain containing protein 0.0046 0.0236 0.0239
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0348 0.0348
Leishmania major hypothetical protein, conserved 0.0042 0.018 0.0199
Brugia malayi Bromodomain containing protein 0.0091 0.0786 0.0895
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0908 0.0908
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0202 0.0202
Schistosoma mansoni carbonic anhydrase-related 0.0316 0.3587 0.3587
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0706 0.842 1
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0908 0.0908
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0472 0.5517 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0202 0.0611
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0908 0.104
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0202 0.0611

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 15.8489 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.1923 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) 25.1189 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) 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 (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 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) 35.4813 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) 37.933 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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) 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: 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) 70.7946 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.