Detailed information for compound 1482292

Basic information

Technical information
  • TDR Targets ID: 1482292
  • Name: 1-(4-chloropyridin-2-yl)-3-methyl-4-[(4-methy lphenyl)methyl]pyrrolidine-2,5-dione
  • MW: 328.793 | Formula: C18H17ClN2O2
  • H donors: 0 H acceptors: 3 LogP: 3.52 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)CC1C(C)C(=O)N(C1=O)c1nccc(c1)Cl
  • InChi: 1S/C18H17ClN2O2/c1-11-3-5-13(6-4-11)9-15-12(2)17(22)21(18(15)23)16-10-14(19)7-8-20-16/h3-8,10,12,15H,9H2,1-2H3
  • InChiKey: CCGRMLMKKRPGJU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-chloro-2-pyridyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
  • 1-(4-chloro-2-pyridyl)-3-methyl-4-(4-methylbenzyl)pyrrolidine-2,5-quinone
  • 1-(4-Chloro-pyridin-2-yl)-3-methyl-4-(4-methyl-benzyl)-pyrrolidine-2,5-dione
  • EU-0014142
  • MLS000762400
  • SMR000437972

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Plasmodium yoelii putative AP endonuclease-related 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
Schistosoma mansoni ap endonuclease 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
Trichomonas vaginalis ap endonuclease, 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Cathepsin L-like precursor 0.0051 0.0139 0.0425
Echinococcus granulosus cathepsin b 0.0345 0.3264 1
Plasmodium vivax vivapain-3 0.0089 0.0543 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0164 0.1338 1
Entamoeba histolytica cysteine protease, putative 0.0089 0.0543 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0164 0.1338 1
Echinococcus granulosus cathepsin L cysteine protease 0.0089 0.0543 0.1662
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0164 0.1338 1
Entamoeba histolytica cysteine protease, putative 0.0164 0.1338 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133 0.101 0.3093
Loa Loa (eye worm) hypothetical protein 0.0051 0.0139 0.0425
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0345 0.3264 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0089 0.0543 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0164 0.1338 1
Entamoeba histolytica cysteine protease, putative 0.0089 0.0543 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0164 0.1338 1
Entamoeba histolytica cysteine protease, putative 0.0089 0.0543 0.4054
Echinococcus multilocularis cathepsin b 0.0345 0.3264 0.3264
Toxoplasma gondii cathepsin CPL 0.0164 0.1338 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0089 0.0543 0.1662
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0345 0.3264 1
Onchocerca volvulus 0.0164 0.1338 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0089 0.0543 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0164 0.1338 0.41
Leishmania major cathepsin L-like protease 0.0164 0.1338 1
Onchocerca volvulus 0.0164 0.1338 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0164 0.1338 1
Entamoeba histolytica cysteine protease, putative 0.0089 0.0543 0.4054
Echinococcus multilocularis cysteine protease 0.0164 0.1338 0.1338
Loa Loa (eye worm) cathepsin B 0.0133 0.101 0.3093
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0089 0.0543 0.1662
Brugia malayi Cathepsin L-like precursor 0.0164 0.1338 0.41
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0164 0.1338 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0164 0.1338 1
Echinococcus multilocularis cathepsin b 0.0345 0.3264 0.3264
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0164 0.1338 1
Leishmania major cathepsin L-like protease 0.0164 0.1338 1
Loa Loa (eye worm) fibroinase 0.0164 0.1338 0.41
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0164 0.1338 1
Onchocerca volvulus 0.0164 0.1338 1
Entamoeba histolytica cysteine proteinase, putative 0.0089 0.0543 0.4054
Trypanosoma cruzi cruzipain precursor, putative 0.0164 0.1338 0.41
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0164 0.1338 1
Entamoeba histolytica cysteine proteinase, putative 0.0089 0.0543 0.4054
Leishmania major cathepsin L-like protease 0.0164 0.1338 1
Schistosoma mansoni hypothetical protein 0.0205 0.177 0.5423
Echinococcus granulosus cathepsin l1 0.0113 0.0796 0.2438
Entamoeba histolytica cysteine protease, putative 0.0089 0.0543 0.4054
Plasmodium vivax unspecified product 0.0051 0.0139 0.1037
Entamoeba histolytica cysteine protease, putative 0.0089 0.0543 0.4054
Schistosoma mansoni cathepsin s 0.0051 0.0139 0.0425
Onchocerca volvulus Cathepsin L homolog 0.0164 0.1338 1
Giardia lamblia Cathepsin B precursor 0.0133 0.101 1
Leishmania major cathepsin L-like protease 0.0164 0.1338 1
Leishmania major cysteine peptidase A (CPA) 0.0164 0.1338 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0113 0.0796 0.5946
Plasmodium falciparum cysteine proteinase falcipain 1 0.0089 0.0543 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0164 0.1338 1
Entamoeba histolytica cysteine protease, putative 0.0089 0.0543 0.4054
Echinococcus granulosus geminin 0.0205 0.177 0.5423
Loa Loa (eye worm) hypothetical protein 0.0051 0.0139 0.0425
Loa Loa (eye worm) hypothetical protein 0.0164 0.1338 0.41
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0133 0.101 0.7543
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0051 0.0139 0.0425
Entamoeba histolytica cysteine protease, putative 0.0089 0.0543 0.4054
Entamoeba histolytica cysteine protease, putative 0.0089 0.0543 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0164 0.1338 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0164 0.1338 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0164 0.1338 1
Onchocerca volvulus 0.0113 0.0796 0.5946
Echinococcus multilocularis cysteine protease 0.0164 0.1338 0.1338
Brugia malayi Papain family cysteine protease containing protein 0.0089 0.0543 0.1662
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0133 0.101 0.3093
Onchocerca volvulus Cathepsin L homolog 0.0164 0.1338 1
Brugia malayi Cathepsin L-like precursor 0.0164 0.1338 0.41
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0345 0.3264 1
Entamoeba histolytica cysteine proteinase, putative 0.0113 0.0796 0.5946
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0164 0.1338 1
Giardia lamblia Cathepsin B precursor 0.0133 0.101 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0164 0.1338 0.41
Leishmania major cathepsin L-like protease 0.0164 0.1338 1
Brugia malayi Cathepsin L-like precursor 0.0164 0.1338 0.41
Trypanosoma cruzi cysteine peptidase, putative 0.0164 0.1338 0.41
Onchocerca volvulus 0.0164 0.1338 1
Trypanosoma cruzi cysteine peptidase, putative 0.0089 0.0543 0.1662
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0164 0.1338 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0164 0.1338 1
Loa Loa (eye worm) hypothetical protein 0.0345 0.3264 1
Entamoeba histolytica cysteine protease, putative 0.0089 0.0543 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0089 0.0543 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0164 0.1338 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0164 0.1338 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0164 0.1338 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0345 0.3264 1
Brugia malayi Papain family cysteine protease containing protein 0.0164 0.1338 0.41
Brugia malayi cathepsin B-like cysteine proteinase 0.0345 0.3264 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0089 0.0543 0.1662
Trypanosoma cruzi cysteine peptidase, putative 0.0164 0.1338 0.41
Brugia malayi cathepsin F-like cysteine proteinase 0.0051 0.0139 0.0425
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0113 0.0796 0.2438
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0051 0.0139 0.0425
Echinococcus multilocularis geminin 0.0205 0.177 0.177
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0164 0.1338 1
Plasmodium vivax vivapain-2 0.0164 0.1338 1
Trypanosoma cruzi cysteine proteinase, putative 0.0089 0.0543 0.1662
Echinococcus granulosus cysteine protease 0.0089 0.0543 0.1662
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0164 0.1338 1
Echinococcus granulosus cathepsin L 0.0089 0.0543 0.1662
Echinococcus multilocularis cathepsin L cysteine protease 0.0164 0.1338 0.1338
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0164 0.1338 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0113 0.0796 0.2438
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0164 0.1338 1
Toxoplasma gondii cathepsin B 0.0133 0.101 0.7543
Entamoeba histolytica cysteine protease, putative 0.0089 0.0543 0.4054
Echinococcus granulosus cathepsin b 0.0345 0.3264 1
Echinococcus multilocularis cathepsin L 0.0089 0.0543 0.0543
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0345 0.3264 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0164 0.1338 1
Brugia malayi Cathepsin L-like precursor 0.0113 0.0796 0.2438
Plasmodium vivax unspecified product 0.0089 0.0543 0.4054
Brugia malayi Cathepsin L-like precursor 0.0164 0.1338 0.41
Plasmodium vivax vivapain-1 0.0089 0.0543 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0089 0.0543 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0164 0.1338 1
Brugia malayi Cathepsin L-like precursor 0.0113 0.0796 0.2438
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0164 0.1338 1
Onchocerca volvulus 0.0164 0.1338 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0164 0.1338 1
Trypanosoma cruzi cysteine protease, putative 0.0089 0.0543 0.1662
Brugia malayi Papain family cysteine protease containing protein 0.0089 0.0543 0.1662
Schistosoma mansoni cathepsin F (C01 family) 0.0164 0.1338 0.41
Trypanosoma cruzi cysteine proteinase, putative 0.0089 0.0543 0.1662
Brugia malayi Cathepsin L-like precursor 0.0164 0.1338 0.41
Trypanosoma cruzi cysteine peptidase, putative 0.0164 0.1338 0.41
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0164 0.1338 1
Giardia lamblia Cathepsin B precursor 0.0133 0.101 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.0796 0.2438
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0113 0.0796 0.5946
Echinococcus granulosus cathepsin L cysteine proteinase 0.0164 0.1338 0.41
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0164 0.1338 1
Leishmania major cathepsin L-like protease 0.0164 0.1338 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0164 0.1338 0.41
Loa Loa (eye worm) hypothetical protein 0.0113 0.0796 0.2438
Schistosoma mansoni cathepsin F (C01 family) 0.0164 0.1338 0.41
Echinococcus granulosus cathepsin l1 0.0164 0.1338 0.41
Trypanosoma cruzi cysteine peptidase, putative 0.0051 0.0139 0.0425
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0164 0.1338 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0164 0.1338 0.1338
Onchocerca volvulus Cathepsin F homolog 0.0164 0.1338 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0164 0.1338 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0089 0.0543 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0164 0.1338 0.1338
Brugia malayi Cathepsin L-like precursor 0.0164 0.1338 0.41
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0164 0.1338 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0164 0.1338 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0164 0.1338 1
Brugia malayi cathepsin L-like precursor 0.0113 0.0796 0.2438
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0164 0.1338 1
Leishmania major cathepsin L-like protease 0.0164 0.1338 1
Plasmodium vivax vivapain-2 0.0164 0.1338 1
Entamoeba histolytica cysteine protease, putative 0.0089 0.0543 0.4054
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0089 0.0543 0.1662
Entamoeba histolytica cysteine protease, putative 0.0089 0.0543 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0113 0.0796 0.2438
Onchocerca volvulus 0.0164 0.1338 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0164 0.1338 1
Trypanosoma cruzi cruzipain precursor, putative 0.0051 0.0139 0.0425
Loa Loa (eye worm) hypothetical protein 0.0113 0.0796 0.2438
Entamoeba histolytica cysteine proteinase 2 0.0089 0.0543 0.4054
Loa Loa (eye worm) hypothetical protein 0.0051 0.0139 0.0425
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0164 0.1338 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0164 0.1338 0.1338
Trypanosoma brucei cysteine peptidase C (CPC) 0.0133 0.101 0.5868
Echinococcus granulosus cathepsin l cysteine peptidase 0.0164 0.1338 0.41
Loa Loa (eye worm) cysteine protease 0.0164 0.1338 0.41
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0164 0.1338 1
Onchocerca volvulus 0.0164 0.1338 1
Loa Loa (eye worm) ctsf protein 0.0164 0.1338 0.41
Entamoeba histolytica cysteine proteinase, putative 0.0164 0.1338 1
Schistosoma mansoni hypothetical protein 0.0205 0.177 0.5423
Leishmania major cathepsin L-like protease 0.0164 0.1338 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1636 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) 8.2753 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) 16.3535 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) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 28.1838 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) 29.0929 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) 89.1251 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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