Detailed information for compound 1359330

Basic information

Technical information
  • TDR Targets ID: 1359330
  • Name: [2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl )phenyl] acetate
  • MW: 334.369 | Formula: C20H18N2O3
  • H donors: 0 H acceptors: 2 LogP: 2.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Oc1ccccc1n1c(C)nc(=O)c(c1C)c1ccccc1
  • InChi: 1S/C20H18N2O3/c1-13-19(16-9-5-4-6-10-16)20(24)21-14(2)22(13)17-11-7-8-12-18(17)25-15(3)23/h4-12H,1-3H3
  • InChiKey: DIBDSGAMKSCUJK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-(2,6-dimethyl-4-oxo-5-phenyl-pyrimidin-1-yl)phenyl] acetate
  • acetic acid [2-(2,6-dimethyl-4-oxo-5-phenyl-1-pyrimidinyl)phenyl] ester
  • acetic acid [2-(4-keto-2,6-dimethyl-5-phenyl-pyrimidin-1-yl)phenyl] ester
  • [2-(2,6-dimethyl-4-oxo-5-phenyl-pyrimidin-1-yl)phenyl] ethanoate
  • ZINC00349588
  • SMR000425158
  • Enamine_000952
  • STOCK1S-49039
  • Acetic acid 2-(2,6-dimethyl-4-oxo-5-phenyl-4H-pyrimidin-1-yl)-phenyl ester
  • MLS001012358
  • AE-848/36047037
  • Oprea1_033235

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 ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi 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 congolense apurinic/apyrimidinic endonuclease, 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Cryptosporidium hominis 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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 yoelii putative AP endonuclease-related 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 falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
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
Plasmodium knowlesi 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:K10771 AP endonuclease 1, putative 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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 major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
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 DNA-(apurinic or apyrimidinic site) lyase 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
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.2382 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.2382 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0172 0.1121 0.2381
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0498 0.4708 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0172 0.1121 0.4705
Trypanosoma cruzi cysteine peptidase, putative 0.0287 0.2382 0.506
Trypanosoma cruzi cruzipain precursor, putative 0.0287 0.2382 0.506
Onchocerca volvulus Cathepsin L homolog 0.0287 0.2382 1
Plasmodium vivax vivapain-2 0.0287 0.2382 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.2382 1
Trypanosoma cruzi cysteine peptidase, putative 0.0102 0.035 0.0743
Onchocerca volvulus 0.0287 0.2382 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.2382 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0498 0.4708 1
Brugia malayi Cathepsin L-like precursor 0.0287 0.2382 0.506
Brugia malayi cathepsin L-like precursor 0.0185 0.1261 0.2679
Schistosoma mansoni cathepsin F (C01 family) 0.0287 0.2382 0.506
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0185 0.1261 0.2679
Echinococcus multilocularis cysteine protease 0.0287 0.2382 0.2382
Entamoeba histolytica cysteine protease, putative 0.0172 0.1121 0.4705
Loa Loa (eye worm) ctsf protein 0.0287 0.2382 0.506
Toxoplasma gondii cathepsin B 0.0203 0.1456 0.6112
Entamoeba histolytica cysteine protease, putative 0.0172 0.1121 0.4705
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.2382 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.2382 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.2382 1
Echinococcus granulosus cathepsin L cysteine protease 0.0172 0.1121 0.2381
Trypanosoma cruzi cysteine peptidase, putative 0.0172 0.1121 0.2381
Leishmania major cathepsin L-like protease 0.0287 0.2382 1
Giardia lamblia Cathepsin B precursor 0.0203 0.1456 1
Trypanosoma cruzi cruzipain precursor, putative 0.0102 0.035 0.0743
Loa Loa (eye worm) hypothetical protein 0.0102 0.035 0.0743
Plasmodium vivax vivapain-3 0.0172 0.1121 0.4705
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0203 0.1456 0.3093
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.2382 1
Entamoeba histolytica cysteine proteinase, putative 0.0172 0.1121 0.4705
Trypanosoma cruzi cysteine peptidase, putative 0.0287 0.2382 0.506
Loa Loa (eye worm) hypothetical protein 0.0185 0.1261 0.2679
Leishmania major cathepsin L-like protease 0.0287 0.2382 1
Entamoeba histolytica cysteine proteinase 2 0.0172 0.1121 0.4705
Brugia malayi cathepsin F-like cysteine proteinase 0.0102 0.035 0.0743
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0102 0.035 0.0743
Trypanosoma cruzi cysteine protease, putative 0.0172 0.1121 0.2381
Onchocerca volvulus 0.0287 0.2382 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0185 0.1261 0.5295
Entamoeba histolytica cysteine protease, putative 0.0172 0.1121 0.4705
Entamoeba histolytica cysteine protease, putative 0.0172 0.1121 0.4705
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.2382 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.2382 1
Brugia malayi Cathepsin L-like precursor 0.0287 0.2382 0.506
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.2382 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0287 0.2382 0.506
Entamoeba histolytica cysteine protease, putative 0.0172 0.1121 0.4705
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0287 0.2382 1
Onchocerca volvulus 0.0287 0.2382 1
Echinococcus multilocularis cathepsin b 0.0498 0.4708 0.4708
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.2382 1
Brugia malayi Cathepsin L-like precursor 0.0287 0.2382 0.506
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0203 0.1456 0.6112
Plasmodium vivax vivapain-1 0.0172 0.1121 0.4705
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.2382 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0203 0.1456 0.3093
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0287 0.2382 0.506
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.2382 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0172 0.1121 0.2381
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0287 0.2382 0.2382
Brugia malayi Cathepsin L-like precursor 0.0287 0.2382 0.506
Leishmania major cathepsin L-like protease 0.0287 0.2382 1
Onchocerca volvulus 0.0287 0.2382 1
Onchocerca volvulus Cathepsin L homolog 0.0287 0.2382 1
Entamoeba histolytica cysteine protease, putative 0.0172 0.1121 0.4705
Brugia malayi cathepsin B-like cysteine proteinase 0.0498 0.4708 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.2382 1
Echinococcus granulosus cathepsin b 0.0498 0.4708 1
Entamoeba histolytica cysteine protease, putative 0.0172 0.1121 0.4705
Trypanosoma cruzi cysteine proteinase, putative 0.0172 0.1121 0.2381
Entamoeba histolytica cysteine protease, putative 0.0172 0.1121 0.4705
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.2382 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0498 0.4708 1
Brugia malayi Cathepsin L-like precursor 0.0102 0.035 0.0743
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.2382 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.1261 0.2679
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0287 0.2382 0.506
Plasmodium vivax unspecified product 0.0172 0.1121 0.4705
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.2382 1
Entamoeba histolytica cysteine proteinase, putative 0.0287 0.2382 1
Entamoeba histolytica cysteine proteinase, putative 0.0172 0.1121 0.4705
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.2382 1
Entamoeba histolytica cysteine protease, putative 0.0172 0.1121 0.4705
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0102 0.035 0.0743
Echinococcus granulosus cathepsin b 0.0498 0.4708 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0287 0.2382 1
Entamoeba histolytica cysteine protease, putative 0.0287 0.2382 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.2382 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.2382 1
Brugia malayi Cathepsin L-like precursor 0.0287 0.2382 0.506
Entamoeba histolytica cysteine proteinase, putative 0.0287 0.2382 1
Giardia lamblia Cathepsin B precursor 0.0203 0.1456 1
Leishmania major cathepsin L-like protease 0.0287 0.2382 1
Plasmodium vivax unspecified product 0.0102 0.035 0.1467
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.2382 1
Echinococcus multilocularis cysteine protease 0.0287 0.2382 0.2382
Loa Loa (eye worm) cathepsin B 0.0203 0.1456 0.3093
Entamoeba histolytica cysteine protease, putative 0.0172 0.1121 0.4705
Brugia malayi Cathepsin L-like precursor 0.0185 0.1261 0.2679
Onchocerca volvulus 0.0185 0.1261 0.5295
Loa Loa (eye worm) hypothetical protein 0.0287 0.2382 0.506
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0287 0.2382 1
Trypanosoma cruzi cysteine proteinase, putative 0.0172 0.1121 0.2381
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0287 0.2382 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0172 0.1121 0.4705
Schistosoma mansoni cathepsin s 0.0102 0.035 0.0743
Loa Loa (eye worm) cysteine protease 0.0287 0.2382 0.506
Entamoeba histolytica cysteine protease, putative 0.0172 0.1121 0.4705
Leishmania major cathepsin L-like protease 0.0287 0.2382 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.2382 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0172 0.1121 0.2381
Plasmodium vivax vivapain-2 0.0287 0.2382 1
Leishmania major cysteine peptidase A (CPA) 0.0287 0.2382 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0287 0.2382 0.2382
Toxoplasma gondii cathepsin CPL 0.0287 0.2382 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0287 0.2382 0.2382
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.2382 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0287 0.2382 0.2382
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.2382 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0287 0.2382 0.506
Entamoeba histolytica cysteine proteinase, putative 0.0185 0.1261 0.5295
Leishmania major cathepsin L-like protease 0.0287 0.2382 1
Echinococcus granulosus cathepsin l1 0.0287 0.2382 0.506
Loa Loa (eye worm) fibroinase 0.0287 0.2382 0.506
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.2382 1
Brugia malayi Cathepsin L-like precursor 0.0287 0.2382 0.506
Brugia malayi Cathepsin L-like cysteine proteinase 0.0185 0.1261 0.2679
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0185 0.1261 0.5295
Trypanosoma cruzi cysteine peptidase, putative 0.0287 0.2382 0.506
Giardia lamblia Cathepsin B precursor 0.0203 0.1456 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.2382 1
Brugia malayi Papain family cysteine protease containing protein 0.0287 0.2382 0.506
Brugia malayi Papain family cysteine protease containing protein 0.0172 0.1121 0.2381
Onchocerca volvulus 0.0287 0.2382 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.035 0.0743
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.2382 1
Entamoeba histolytica cysteine proteinase, putative 0.0172 0.1121 0.4705
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.2382 1
Onchocerca volvulus 0.0287 0.2382 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.2382 1
Brugia malayi Cathepsin L-like precursor 0.0185 0.1261 0.2679
Leishmania major cathepsin L-like protease 0.0287 0.2382 1
Echinococcus granulosus cathepsin L 0.0172 0.1121 0.2381
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0172 0.1121 0.2381
Entamoeba histolytica cysteine protease, putative 0.0172 0.1121 0.4705
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.2382 1
Echinococcus granulosus cathepsin l1 0.0185 0.1261 0.2679
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0498 0.4708 1
Echinococcus multilocularis cathepsin L 0.0172 0.1121 0.1121
Plasmodium falciparum cysteine proteinase falcipain 1 0.0172 0.1121 0.4705
Loa Loa (eye worm) hypothetical protein 0.0498 0.4708 1
Schistosoma mansoni cathepsin F (C01 family) 0.0287 0.2382 0.506
Plasmodium falciparum cysteine proteinase falcipain 3 0.0287 0.2382 1
Onchocerca volvulus 0.0287 0.2382 1
Entamoeba histolytica cysteine proteinase, putative 0.0172 0.1121 0.4705
Brugia malayi Papain family cysteine protease containing protein 0.0172 0.1121 0.2381
Onchocerca volvulus Cathepsin F homolog 0.0287 0.2382 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.1261 0.2679
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.2382 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0203 0.1456 0.2657
Entamoeba histolytica cysteine protease, putative 0.0172 0.1121 0.4705
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0172 0.1121 0.4705
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.2382 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.035 0.0743
Schistosoma mansoni cathepsin F (C01 family) 0.0185 0.1261 0.2679
Leishmania major cathepsin L-like protease 0.0287 0.2382 1
Echinococcus granulosus cysteine protease 0.0172 0.1121 0.2381
Trypanosoma cruzi cysteine peptidase, putative 0.0287 0.2382 0.506
Echinococcus multilocularis cathepsin b 0.0498 0.4708 0.4708
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.2382 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0498 0.4708 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0251 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.058 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

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.