Detailed information for compound 1483793

Basic information

Technical information
  • TDR Targets ID: 1483793
  • Name: ethyl 6-[[5-(3,5-dichlorophenyl)-1H-1,2,4-tri azol-3-yl]sulfanyl]-2,5-dimethylpyrimidine-4- carboxylate
  • MW: 424.304 | Formula: C17H15Cl2N5O2S
  • H donors: 1 H acceptors: 5 LogP: 5.24 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1nc(C)nc(c1C)Sc1n[nH]c(n1)c1cc(Cl)cc(c1)Cl
  • InChi: 1S/C17H15Cl2N5O2S/c1-4-26-16(25)13-8(2)15(21-9(3)20-13)27-17-22-14(23-24-17)10-5-11(18)7-12(19)6-10/h5-7H,4H2,1-3H3,(H,22,23,24)
  • InChiKey: PYYUVMKBLZLKAV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 6-[[5-(3,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2,5-dimethyl-pyrimidine-4-carboxylate
  • 6-[[5-(3,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-2,5-dimethyl-4-pyrimidinecarboxylic acid ethyl ester
  • 6-[[5-(3,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-2,5-dimethyl-pyrimidine-4-carboxylic acid ethyl ester
  • MLS000860965
  • SMR000459749
  • ethyl 6-{[5-(3,5-dichlorophenyl)-4H-1,2,4-triazol-3-yl]thio}-2,5-dimethylpyrimidine-4-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein 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
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
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0131 0.0072
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.016 0.0101
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0842 0.1581
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.0262
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.0262
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.016 0.0203
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0234 0.5009 1
Loa Loa (eye worm) hypothetical protein 0.002 0.016 0.0203
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0229 0.0341
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0842 0.1581
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0229 0.0241
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.006 0.012
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0131 0.0173
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1939 0.3796
Schistosoma mansoni coup transcription factor 0.002 0.016 0.0203
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0414 0.0716
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.016 0.0101
Schistosoma mansoni hypothetical protein 0.0067 0.1233 0.237
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.016 0.0203
Loa Loa (eye worm) hypothetical protein 0.002 0.016 0.0203
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.016 0.0203
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.016 0.0101
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.016 0.0203
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative 0.0234 0.5009 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.016 0.0203
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.016 0.0203
Loa Loa (eye worm) hypothetical protein 0.002 0.016 0.0203
Trypanosoma brucei unspecified product 0.0019 0.0131 0.0262
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0131 0.0015
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.016 0.0203
Giardia lamblia DINP protein human, muc B family 0.0019 0.0131 0.0002
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0131 0.0144
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0131 0.0262
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0842 0.0787
Schistosoma mansoni hypothetical protein 0.0031 0.0414 0.0716
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.0262
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.016 0.0203
Loa Loa (eye worm) hypothetical protein 0.002 0.016 0.0203
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0131 0.0072
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0131 0.0144
Brugia malayi MAP kinase sur-1 0.005 0.0842 0.1581
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0229 0.0341
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0131 0.0262
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0131 0.0144
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.0234 0.5009 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.016 0.0101
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0229 0.0341
Loa Loa (eye worm) hypothetical protein 0.0099 0.1939 0.3796
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.016 0.0101
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.0234 0.5009 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.016 0.0203
Echinococcus multilocularis FTZ F1 alpha 0.002 0.016 0.0101
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.1559 0.1508
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.016 0.0203
Schistosoma mansoni ap endonuclease 0.0019 0.0131 0.0144
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.016 0.0203
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0131 0.0072
Leishmania major DNA polymerase eta, putative 0.0019 0.0131 0.0144
Leishmania major DNA polymerase kappa, putative 0.0019 0.0131 0.0144
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.1559 0.3028
Brugia malayi nuclear receptor NHR-88 0.002 0.016 0.0203
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.0234 0.5009 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0842 0.1757
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.016 0.0203
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0131 0.0144
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0414 0.0356
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0842 0.1581
Schistosoma mansoni thyroid hormone receptor 0.002 0.016 0.0203
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.016 0.0203
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.0262
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.016 0.0101
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0414 0.0356
Schistosoma mansoni hypothetical protein 0.0031 0.0414 0.0716
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.016 0.0203
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.016 0.0203
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0131 0.0173
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0131 0.0144
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.1233 0.237
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.016 0.0203
Entamoeba histolytica hypothetical protein 0.0023 0.0229 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.016 0.0101
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.016 0.0203
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.016 0.0101
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0131 0.0144
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.016 0.0203
Schistosoma mansoni ap endonuclease 0.0019 0.0131 0.0144
Echinococcus granulosus GPCR family 2 0.0031 0.0414 0.0356
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0842 0.0787
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0131 0.0262
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0842 0.1682
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0414 0.0356
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0842 0.0787
Toxoplasma gondii exonuclease III APE 0.0019 0.0131 0.0144
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0229 0.0341
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.016 0.0101
Onchocerca volvulus 0.0082 0.1559 1
Loa Loa (eye worm) steroid hormone receptor 0.002 0.016 0.0203
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.016 0.0203
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.016 0.0203
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.0262
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0842 0.1757
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.016 0.0101
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0131 0.0144
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0198 0.4178 1
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.0234 0.5009 1
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.016 0.0101
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.0262
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.0262
Mycobacterium tuberculosis Probable transcriptional regulatory protein NrdR 0.0037 0.0539 0.1165
Chlamydia trachomatis transcriptional repressor NrdR 0.0037 0.0539 0.065
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0842 0.1581
Loa Loa (eye worm) hypothetical protein 0.002 0.016 0.0203
Schistosoma mansoni hypothetical protein 0.0031 0.0414 0.0716
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.016 0.0203
Brugia malayi steroid hormone receptor 0.002 0.016 0.0203
Schistosoma mansoni DNA polymerase eta 0.0019 0.0131 0.0144
Schistosoma mansoni nuclear hormone receptor 0.002 0.016 0.0203
Brugia malayi nuclear hormone receptor 0.002 0.016 0.0203
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.0234 0.5009 0.4979
Schistosoma mansoni hypothetical protein 0.0031 0.0414 0.0716
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0061 0.1079 0.206
Brugia malayi MH2 domain containing protein 0.0144 0.2968 0.5876
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.016 0.0203
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0198 0.4178 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0842 0.1581
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0842 0.1581
Echinococcus granulosus neuropeptide receptor A26 0.0455 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.016 0.0203
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0842 0.1581
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2968 0.5876
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0414 0.0716
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.016 0.0203
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0198 0.4178 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0842 0.1757
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0131 0.0144
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0414 0.0716
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.016 0.0101
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0131 0.0262
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.0262
Echinococcus multilocularis GPCR, family 2 0.0031 0.0414 0.0356
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0842 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0131 0.0072
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.1559 0.3028
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.016 0.0203
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0229 0.0457
Loa Loa (eye worm) hypothetical protein 0.002 0.016 0.0203
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.1559 0.1508
Echinococcus granulosus FTZ F1 alpha 0.002 0.016 0.0101
Schistosoma mansoni thyroid hormone receptor 0.002 0.016 0.0203
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.016 0.0203
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0131 0.0144
Loa Loa (eye worm) hypothetical protein 0.0031 0.0414 0.0716
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0414 0.0356
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0131 0.0144
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.016 0.0101
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.0234 0.5009 0.4979
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0131 0.0144
Loa Loa (eye worm) hypothetical protein 0.002 0.016 0.0203
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.016 0.0203
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.016 0.0101
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.0234 0.5009 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0131 0.0262
Brugia malayi ecdysteroid receptor 0.002 0.016 0.0203
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.016 0.0203
Echinococcus multilocularis neuropeptide receptor A26 0.0455 1 1
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.0234 0.5009 1
Echinococcus multilocularis dna polymerase eta 0.0019 0.0131 0.0072
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.0262
Mycobacterium ulcerans transcriptional regulator NrdR 0.0037 0.0539 0.1009
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.0234 0.5009 1
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0229 0.0241
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0071 0.1315 0.3048
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2968 0.5876
Echinococcus multilocularis neuropeptide s receptor 0.0455 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0842 0.1581
Loa Loa (eye worm) hypothetical protein 0.0019 0.0131 0.0144
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0842 0.1581
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0229 0.0341
Loa Loa (eye worm) hypothetical protein 0.0082 0.1559 0.3028
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0131 0.0072
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0131 0.0144
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0539 0.0787
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.016 0.0101
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0842 0.1757
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.0234 0.5009 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.1233 0.237
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0229 0.041
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0131 0.0144
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0198 0.4178 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0131 0.0144
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.016 0.0203
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1939 0.3796
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.0234 0.5009 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.016 0.0203
Trypanosoma brucei protein kinase, putative 0.005 0.0842 0.1682
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0229 0.02
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0198 0.4178 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.016 0.0203
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0229 0.0241
Brugia malayi Steroid receptor seven-up type 2 0.002 0.016 0.0203
Loa Loa (eye worm) hypothetical protein 0.002 0.016 0.0203
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0131 0.0144
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.0262
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.006 0.012
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0131 0.0144
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.016 0.0101
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0131 0.0144
Echinococcus granulosus dna polymerase eta 0.0019 0.0131 0.0072
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0131 0.0144
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0131 0.0173
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0842 0.0787
Echinococcus granulosus dna polymerase kappa 0.0019 0.0131 0.0072
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1939 0.3796

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 13.1154 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) 14.1254 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) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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