Detailed information for compound 1455366

Basic information

Technical information
  • TDR Targets ID: 1455366
  • Name: 6-chloro-3-[2-oxo-2-[4-[(2,3,4-trimethoxyphen yl)methyl]piperazin-1-yl]ethyl]-1,3-benzoxazo l-2-one
  • MW: 475.922 | Formula: C23H26ClN3O6
  • H donors: 0 H acceptors: 2 LogP: 2.7 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(ccc(c1OC)OC)CN1CCN(CC1)C(=O)Cn1c(=O)oc2c1ccc(c2)Cl
  • InChi: 1S/C23H26ClN3O6/c1-30-18-7-4-15(21(31-2)22(18)32-3)13-25-8-10-26(11-9-25)20(28)14-27-17-6-5-16(24)12-19(17)33-23(27)29/h4-7,12H,8-11,13-14H2,1-3H3
  • InChiKey: YVNBZPSRNWLTMA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-chloro-3-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]ethyl]-1,3-benzoxazol-2-one
  • 6-chloro-3-[2-keto-2-[4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein 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
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
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
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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 granulosus dna polymerase eta 0.0054 0.3172 0.9728
Echinococcus granulosus dna polymerase kappa 0.0023 0.0841 0.258
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0841 0.0841
Schistosoma mansoni ap endonuclease 0.0023 0.0796 0.2441
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0841 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.3261 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0841 0.258
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.3172 1
Entamoeba histolytica hypothetical protein 0.0043 0.2367 1
Entamoeba histolytica hypothetical protein 0.0043 0.2367 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2194 0.2194
Schistosoma mansoni hypothetical protein 0.0043 0.2367 0.726
Entamoeba histolytica hypothetical protein 0.0043 0.2367 1
Schistosoma mansoni hypothetical protein 0.0019 0.0519 0.159
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0841 0.1904
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0841 0.1904
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0841 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.3261 0.3261
Echinococcus granulosus GPCR family 2 0.0019 0.0519 0.159
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.3172 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0841 0.1904
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0796 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2367 0.726
Onchocerca volvulus Bile acid receptor homolog 0.0012 0 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.3172 0.3172
Schistosoma mansoni hypothetical protein 0.0019 0.0519 0.159
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0841 0.1904
Schistosoma mansoni hypothetical protein 0.0019 0.0519 0.159
Loa Loa (eye worm) hypothetical protein 0.006 0.3637 0.3637
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0519 0.159
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0796 0.5
Echinococcus multilocularis GPCR, family 2 0.0019 0.0519 0.159
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3637 0.3637
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0519 0.0519
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3261 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.3261 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0841 0.258
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0519 0.159
Leishmania major DNA polymerase eta, putative 0.0038 0.1954 0.4874
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0519 0.159
Leishmania major DNA polymerase kappa, putative 0.0023 0.0841 0.0189
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0841 0.0189
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0841 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0796 0.2441
Echinococcus multilocularis dna polymerase eta 0.0054 0.3172 0.9728
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0519 0.0519
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0841 0.258
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0841 0.1904
Schistosoma mansoni ap endonuclease 0.0023 0.0796 0.2441
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3637 0.3637
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0519 0.159
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0796 0.0796
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0841 0.1904
Entamoeba histolytica hypothetical protein 0.0043 0.2367 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0796 0.2441
Trypanosoma brucei unspecified product 0.0023 0.0841 0.1904
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2367 0.726
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.3261 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0519 0.159
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0841 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0796 0.0796
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0841 0.0189
Giardia lamblia DINP protein human, muc B family 0.0023 0.0841 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0841 0.0189
Schistosoma mansoni hypothetical protein 0.0041 0.2194 0.6727
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0841 0.258
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.3261 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2367 0.726
Loa Loa (eye worm) hypothetical protein 0.0019 0.0519 0.0519
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3637 0.3637
Leishmania major DNA polymerase eta, putative 0.0054 0.3172 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0796 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0841 0.0189
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0841 0.0189
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0841 0.1904
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3261 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.1954 0.4874
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0841 0.258
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0841 0.1904
Brugia malayi hypothetical protein 0.0043 0.2367 0.2367
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0796 0.1747
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0796 0.5
Schistosoma mansoni DNA polymerase eta 0.0054 0.3172 0.9728
Onchocerca volvulus 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.2194 0.2194
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.3261 0.3261
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0841 0.1904
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.1954 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0519 0.0519
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0841 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0841 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0841 0.1904
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0841 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3261 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0841 0.0841
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0841 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0841 0.1904
Loa Loa (eye worm) hypothetical protein 0.0054 0.3172 0.3172
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0841 0.0286

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7519 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.8913 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) 2.9093 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) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. Nrf2 qHTS screen for inhibitors: Nrf2 A549 ARE-Fluc Confirmation Assay for Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (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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