Detailed information for compound 1290242

Basic information

Technical information
  • TDR Targets ID: 1290242
  • Name: [(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2Z)-2-[(1 S)-1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5- yl]ethoxy]iminoethyl]-3,6-dihydro-2H-pyran-3- yl] acetate
  • MW: 484.541 | Formula: C26H32N2O7
  • H donors: 0 H acceptors: 3 LogP: 3.37 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)OC[C@@H]1O[C@H](C/C=N\O[C@H](c2onc(c2)c2c(C)cc(cc2C)C)C)C=C[C@@H]1OC(=O)C
  • InChi: 1S/C26H32N2O7/c1-15-11-16(2)26(17(3)12-15)22-13-24(35-28-22)18(4)34-27-10-9-21-7-8-23(32-20(6)30)25(33-21)14-31-19(5)29/h7-8,10-13,18,21,23,25H,9,14H2,1-6H3/b27-10-/t18-,21-,23-,25-/m0/s1
  • InChiKey: FXXNVXVAEKLNDS-GOGAFMJSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(2S,3S,6R)-2-(acetoxymethyl)-6-[(2Z)-2-[(1S)-1-[3-(2,4,6-trimethylphenyl)isoxazol-5-yl]ethoxy]iminoethyl]-3,6-dihydro-2H-pyran-3-yl] acetate
  • acetic acid [(2S,3S,6R)-2-(acetoxymethyl)-6-[(2Z)-2-[(1S)-1-[3-(2,4,6-trimethylphenyl)-5-isoxazolyl]ethoxy]iminoethyl]-3,6-dihydro-2H-pyran-3-yl] ester
  • acetic acid [(2S,3S,6R)-2-(acetoxymethyl)-6-[(2Z)-2-[(1S)-1-[3-(2,4,6-trimethylphenyl)isoxazol-5-yl]ethoxy]iminoethyl]-3,6-dihydro-2H-pyran-3-yl] ester
  • [(2S,3S,6R)-2-(acetyloxymethyl)-6-[(2Z)-2-[(1S)-1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]ethoxy]iminoethyl]-3,6-dihydro-2H-pyran-3-yl] ethanoate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Entamoeba histolytica exodeoxyribonuclease III, 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
Trichomonas vaginalis ap 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
Loa Loa (eye worm) exodeoxyribonuclease III family 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 ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Schistosoma mansoni ap 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Theileria parva hypothetical 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 cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis ap endonuclease, 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
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Toxoplasma gondii exonuclease III APE 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 japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0611 1
Brugia malayi MH1 domain containing protein 0.0018 0.0077 0.0077
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0152 0.0152
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0055 0.0892
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0032 0.0298 0.0298
Brugia malayi MH1 domain containing protein 0.0032 0.0298 0.0298
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0369 0.5468 0.5468
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0152 0.175
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0152 1
Schistosoma mansoni hypothetical protein 0.0117 0.1595 0.1595
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0611 1
Brugia malayi N-terminal motif family protein 0.0187 0.2675 0.2675
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0055 0.0055
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0163 0.0163
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0117 0.1595 0.1595
Loa Loa (eye worm) latrophilin receptor protein 2 0.0117 0.1595 0.1595
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0152 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0472 0.7063 0.7063
Echinococcus multilocularis mothers against decapentaplegic 6 0.0014 0.0024 0.0024
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0152 0.0152
Schistosoma mansoni ap endonuclease 0.0023 0.0152 0.0152
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0055 0.0055
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0032 0.0298 0.0298
Echinococcus granulosus GPCR family 2 0.0117 0.1595 0.1595
Echinococcus granulosus TGF beta signal transducer SmadC 0.0032 0.0298 0.0298
Brugia malayi mothers against decapentaplegic homolog 3 0.0014 0.0024 0.0024
Schistosoma mansoni smad 0.0014 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0014 0.0024 0.0024
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0611 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0163 0.0163
Brugia malayi MH1 domain containing protein 0.0032 0.0298 0.0298
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0152 0.5
Brugia malayi Smad1 0.0032 0.0298 0.0298
Brugia malayi MH2 domain containing protein 0.0014 0.0024 0.0024
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0152 0.0152
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0055 0.0055
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0117 0.1595 0.1595
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0611 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0369 0.5468 0.5468
Schistosoma mansoni Smad4 0.0032 0.0298 0.0298
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0187 0.2675 1
Schistosoma mansoni Smad4 0.0014 0.0024 0.0024
Leishmania major hypothetical protein, conserved 0.0053 0.0611 1
Schistosoma mansoni smad1 5 8 and 0.0032 0.0298 0.0298
Leishmania major cytochrome p450-like protein 0.0023 0.0163 0.2659
Schistosoma mansoni hypothetical protein 0.0024 0.0166 0.0166
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0055 0.0892
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0055 0.0892
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0611 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0055 0.0055
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0117 0.1595 0.1595
Loa Loa (eye worm) hypothetical protein 0.0018 0.0077 0.0077
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0152 0.2486
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0163 0.2659
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0611 1
Schistosoma mansoni hypothetical protein 0.0117 0.1595 0.1595
Echinococcus multilocularis mothers against decapentaplegic 2 0.0014 0.0024 0.0024
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0055 0.0055
Loa Loa (eye worm) MH2 domain-containing protein 0.0472 0.7063 0.7063
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0055 0.0892
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0055 0.0055
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0055 0.0892
Echinococcus granulosus mothers against decapentaplegic 5 0.0032 0.0298 0.0298
Schistosoma mansoni hypothetical protein 0.0117 0.1595 0.1595
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0611 1
Brugia malayi Cytochrome P450 family protein 0.0036 0.0354 0.0354
Echinococcus granulosus mothers against decapentaplegic 2 0.0014 0.0024 0.0024
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0055 0.0055
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0152 0.9348
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0152 0.2486
Echinococcus multilocularis GPCR, family 2 0.0117 0.1595 0.1595
Schistosoma mansoni hypothetical protein 0.0117 0.1595 0.1595
Loa Loa (eye worm) nuclear factor I 0.0018 0.0077 0.0077
Loa Loa (eye worm) Smad1 0.0032 0.0298 0.0298
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0163 1
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0163 0.2659
Echinococcus granulosus Smad4 0.0032 0.0298 0.0298
Echinococcus multilocularis Smad4 0.0032 0.0298 0.0298
Brugia malayi MH2 domain containing protein 0.0472 0.7063 0.7063
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0117 0.1595 0.1595
Loa Loa (eye worm) hypothetical protein 0.0369 0.5468 0.5468
Brugia malayi MH2 domain containing protein 0.0032 0.0298 0.0298
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0152 0.2486
Brugia malayi latrophilin 2 splice variant baaae 0.0252 0.3675 0.3675
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0152 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0354 0.0354
Schistosoma mansoni smad 0.0032 0.0298 0.0298
Loa Loa (eye worm) hypothetical protein 0.0187 0.2675 0.2675
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0055 0.0892
Loa Loa (eye worm) hypothetical protein 0.0117 0.1595 0.1595
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0152 0.5
Echinococcus granulosus mothers against decapentaplegic 6 0.0014 0.0024 0.0024
Schistosoma mansoni smad1 5 8 and 0.0032 0.0298 0.0298
Brugia malayi isocitrate dehydrogenase 0.0016 0.0055 0.0055
Brugia malayi MH2 domain containing protein 0.0032 0.0298 0.0298
Brugia malayi Latrophilin receptor protein 2 0.0117 0.1595 0.1595
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0117 0.1595 0.1595
Loa Loa (eye worm) MH1 domain-containing protein 0.0032 0.0298 0.0298
Loa Loa (eye worm) MH2 domain-containing protein 0.0014 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0053 0.0611 0.0611
Brugia malayi Cytochrome P450 family protein 0.0023 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0252 0.3675 0.3675
Schistosoma mansoni ap endonuclease 0.0023 0.0152 0.0152
Schistosoma mansoni hypothetical protein 0.0252 0.3675 0.3675
Schistosoma mansoni smad1 5 8 and 0.0032 0.0298 0.0298
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0369 0.5468 0.5468
Loa Loa (eye worm) MH2 domain-containing protein 0.0032 0.0298 0.0298
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0166 0.0166
Brugia malayi Cytochrome P450 family protein 0.0023 0.0163 0.0163
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0152 0.5
Echinococcus granulosus smad 0.0032 0.0298 0.0298
Brugia malayi MH1 domain containing protein 0.0018 0.0077 0.0077
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0152 0.175
Toxoplasma gondii exonuclease III APE 0.0023 0.0152 0.2486
Echinococcus multilocularis smad 0.0032 0.0298 0.0298
Echinococcus multilocularis mothers against decapentaplegic 5 0.0032 0.0298 0.0298
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0055 0.0055
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0152 0.5
Brugia malayi hypothetical protein 0.0053 0.0611 0.0611
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0152 0.0152
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0163 0.0163
Brugia malayi hypothetical protein 0.0034 0.0325 0.0325
Loa Loa (eye worm) MH1 domain-containing protein 0.0014 0.0024 0.0024
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0152 0.2486
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0166 0.0166
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0055 0.0892
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0163 0.2659
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0055 0.0055
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0055 0.3589
Schistosoma mansoni Smad4 0.0014 0.0024 0.0024

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 7.943282347 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) 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.

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