| BioID | bio3247 |
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| Name | SOTORASIB |
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| ChEMBL ID | CHEMBL4535757 |
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| Molecular Formula | C30H30F2N6O3 |
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| Molecular Weight | 560.61 |
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| Molecular Weight (Monoisotopic) | 560.2347 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | AMG-510|AMG510|KRAS G12C INHIBITOR 9|KRAS MUTANT-TARGETING AMG 510|LUMAKRAS|Lumykras|SOTORASIB |
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| Smiles | C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1 |
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| Inchi | InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1 |
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| Inchi Key | NXQKSXLFSAEQCZ-SFHVURJKSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 14.0 |
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| Bioactivities | 101.0 |
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| Np Likeness Score | -0.59 |
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| Records Key | ['SOTORASIB', 'AMG 510', '(R)-38; AMG-510', 'AMG-510', 'SOTORASIB', '16, AMG510', 'SOTORASIB', '2; AMG510', 'SOTORASIB', 'Sotorasib', '9; AMG510', 'SOTORASIB', 'AMG 510', 'AMG-510', 'AMG-510', '2; AMG510', 'AMG510', '1', 'Sotorasib'] |
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| Records Name | ['SOTORASIB', '4-((S)-4-acryloyl-2-methylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one', '(1R)-6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[4-methyl-2-(1-methylethyl)-3-pyridinyl]-4-[(2S)-2-methyl-4-(1-oxo-2-propen-1-yl)-1-piperazinyl]-pyrido[2,3-d]-pyrimidin-2(1H)-one', '4-((S)-4-acryloyl-2-methylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one', 'SOTORASIB', '4-((S)-4-acryloyl-2-methylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one', 'SOTORASIB', '4-((S)-4-acryloyl-2-methylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one', 'SOTORASIB', 'Sotorasib', '(S)-4-(4-acryloyl-2-methylpiperazin-1-yl)-7-(2,6-dihydroxyphenyl)-6-fluoro-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one', 'SOTORASIB', 'Sotorasib', '4-((S)-4-acryloyl-2-methylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one', '4-((S)-4-acryloyl-2-methylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one', '4-((S)-4-acryloyl-2-methylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methyl-2,3-dihydropyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one', '4-((S)-4-acryloyl-2-methylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one', 'Sotorasib', 'Sotorasib'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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