Substrate
/
Generation 1
/
Generation 2
XenoSite
Nalidixic acid
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
Cc1ccc2c(=O)c(C(=O)O)c[nH]c2n1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Show metabolites
Cc1ccc2c(n1)NC=C(C(=O)O)C2
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dehydration · 0.06
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
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![Cc1ccc2c(=O)c(C(=O)O)c[nH]c2n1 stable oxygenation prediction](data:image/svg+xml;utf8,%3C%3Fxml%20version%3D%221.0%22%20%3F%3E%3Csvg%20xmlns%3D%22http%3A%2F%2Fwww.w3.org%2F2000%2Fsvg%22%20xmlns%3Axlink%3D%22http%3A%2F%2Fwww.w3.org%2F1999%2Fxlink%22%20version%3D%221.1%22%20baseProfile%3D%22full%22%20xml%3Aspace%3D%22preserve%22%20width%3D%22215.8%22%20height%3D%22131.1%22%20viewBox%3D%2225.6%202.4%20215.8%20131.1%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_5d63c88664%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22203.1%22%20cy%3D%2279.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22161.9%22%20cy%3D%2232.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22203.0%22%20cy%3D%2246.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22162.1%22%20cy%3D%2265.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22121.2%22%20cy%3D%2284.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22153.8%22%20cy%3D%2256.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22170.3%22%20cy%3D%2274.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22157.9%22%20cy%3D%2244.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22129.3%22%20cy%3D%2260.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22182.6%22%20cy%3D%2272.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22125.2%22%20cy%3D%2272.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22194.9%22%20cy%3D%2270.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22211.3%22%20cy%3D%2289.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22198.9%22%20cy%3D%2258.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22129.4%22%20cy%3D%2294.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2267.8%22%20cy%3D%2273.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22149.9%22%20cy%3D%22101.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22166.2%22%20cy%3D%2286.8%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22141.6%22%20cy%3D%2258.5%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22121.0%22%20cy%3D%2251.5%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22137.6%22%20cy%3D%22103.5%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2280.1%22%20cy%3D%2270.6%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22162.2%22%20cy%3D%2298.6%22%20style%3D%22fill%3Argb(250%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22108.9%22%20cy%3D%2287.0%22%20style%3D%22fill%3Argb(250%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2284.2%22%20cy%3D%2258.7%22%20style%3D%22fill%3Argb(250%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22100.5%22%20cy%3D%2244.5%22%20style%3D%22fill%3Argb(245%2C249%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22112.8%22%20cy%3D%2242.0%22%20style%3D%22fill%3Argb(243%2C247%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2296.6%22%20cy%3D%2289.4%22%20style%3D%22fill%3Argb(229%2C238%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2288.4%22%20cy%3D%2280.0%22%20style%3D%22fill%3Argb(221%2C234%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2288.2%22%20cy%3D%2246.9%22%20style%3D%22fill%3Argb(213%2C228%2C255)%22%2F%3E%3Ccircle%20r%3D%228.1%22%20cx%3D%2255.6%22%20cy%3D%2275.4%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2255.6%22%20cy%3D%2275.4%22%20style%3D%22fill%3Argb(26%2C90%2C255)%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22mol_halo%22%20style%3D%22stroke%3Awhite%3Bopacity%3A0.5%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22mol_halo_xeno_5d63c88664%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_5d63c88664%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_5d63c88664%22%20style%3D%22stroke-width%3A2.0%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22lines%22%20style%3D%22stroke%3A%23D55E00%3Bstroke-width%3A2.0%3Bstroke-opacity%3A1%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22lines_xeno_5d63c88664%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m55.6%2075.4l24.5%20-4.8%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m80.1%2070.6l8.1%20-23.7%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m84.4%2069.7l6.7%20-19.6%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m88.2%2046.9l24.6%20-4.9%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom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![Cc1ccc2c(=O)c(C(=O)O)c[nH]c2n1 unstable oxygenation prediction](data:image/svg+xml;utf8,%3C%3Fxml%20version%3D%221.0%22%20%3F%3E%3Csvg%20xmlns%3D%22http%3A%2F%2Fwww.w3.org%2F2000%2Fsvg%22%20xmlns%3Axlink%3D%22http%3A%2F%2Fwww.w3.org%2F1999%2Fxlink%22%20version%3D%221.1%22%20baseProfile%3D%22full%22%20xml%3Aspace%3D%22preserve%22%20width%3D%22215.8%22%20height%3D%22131.1%22%20viewBox%3D%2225.6%202.4%20215.8%20131.1%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_68618a15ef%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22129.3%22%20cy%3D%2260.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22153.8%22%20cy%3D%2256.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22121.2%22%20cy%3D%2284.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2280.1%22%20cy%3D%2270.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22170.3%22%20cy%3D%2274.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22203.0%22%20cy%3D%2246.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22161.9%22%20cy%3D%2232.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22194.9%22%20cy%3D%2270.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2296.6%22%20cy%3D%2289.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22137.6%22%20cy%3D%22103.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2255.6%22%20cy%3D%2275.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22162.2%22%20cy%3D%2298.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2288.2%22%20cy%3D%2246.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22211.3%22%20cy%3D%2289.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22112.8%22%20cy%3D%2242.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22125.2%22%20cy%3D%2272.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22141.6%22%20cy%3D%2258.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22166.2%22%20cy%3D%2286.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2284.2%22%20cy%3D%2258.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22162.1%22%20cy%3D%2265.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22100.5%22%20cy%3D%2244.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22121.0%22%20cy%3D%2251.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22129.4%22%20cy%3D%2294.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22203.1%22%20cy%3D%2279.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22157.9%22%20cy%3D%2244.2%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22198.9%22%20cy%3D%2258.3%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22108.9%22%20cy%3D%2287.0%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2288.4%22%20cy%3D%2280.0%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22149.9%22%20cy%3D%22101.0%22%20style%3D%22fill%3Argb(249%2C251%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22182.6%22%20cy%3D%2272.5%22%20style%3D%22fill%3Argb(249%2C251%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2267.8%22%20cy%3D%2273.0%22%20style%3D%22fill%3Argb(240%2C246%2C255)%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22mol_halo%22%20style%3D%22stroke%3Awhite%3Bopacity%3A0.5%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22mol_halo_xeno_68618a15ef%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_68618a15ef%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_68618a15ef%22%20style%3D%22stroke-width%3A2.0%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22lines%22%20style%3D%22stroke%3A%23E69F00%3Bstroke-width%3A2.0%3Bstroke-opacity%3A1%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22lines_xeno_68618a15ef%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m55.6%2075.4l24.5%20-4.8%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m80.1%2070.6l8.1%20-23.7%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m84.4%2069.7l6.7%20-19.6%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m88.2%2046.9l24.6%20-4.9%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m112.8%2042l16.5%2018.9%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m1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![Cc1ccc2c(=O)c(C(=O)O)c[nH]c2n1 dehydrogenation 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