Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR3515)
Drug Name
Sotorasib
Synonyms
AMG-510; AMG510; AMG-510 racemate; 2252403-56-6; AMG 510; Kras G12C inhibitor 9; 2296729-00-3; UNII-2B2VM6UC8G; 2B2VM6UC8G; CHEMBL4535757; 2296729-00-3 (racemate); 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; 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one; Sotorasib [INN]; 6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-((2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido(2,3-d)pyrimidin-2-one; AMG510 racemate; Sotorasib [USAN]; AMG-510(racemate); Kras mutant-targeting AMG 510; SCHEMBL20560375; GTPL10678; AMG 510 pound>>AMG-510; AMY16918; BCP30452; BCP33368; EX-A3538; BDBM50514402; NSC818433; s8830; WHO 11370; DB15569; NSC-818433; BS-16684; HY-114277; CS-0081316; compound (R)-38 [PMID: 31820981]; AMG510 ; AMG 510; AMG-510; AMG510; (1m)-6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-(propan-2-yl)pyridin-3-yl)-4-((2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl)pyrido(2,3-d)pyrimidin-2(1H)-one; (1S)-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; 2296729-66-1; Pyrido(2,3-d)pyrimidin-2(1H)-one, 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)-
Indication Lung cancer [ICD11: 2C25] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 560.6 Topological Polar Surface Area 102
Heavy Atom Count 41 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
137278711
CAS Number
2252403-56-6
TTD Drug ID
D0R7LD
Formula
C30H30F2N6O3
Canonical SMILES
C[C@H]1CN(CCN1C2=NC(=O)N(C3=NC(=C(C=C32)F)C4=C(C=CC=C4F)O)C5=C(C=CN=C5C(C)C)C)C(=O)C=C
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
InChIKey
NXQKSXLFSAEQCZ-SFHVURJKSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Sotorasib Metabolite M12 DM017606 N. A. Hydrolysis - Hydrolysis 1 [3]
Sotorasib Metabolite M13 DM017617 N. A. Unclear 1 [3]
Sotorasib Metabolite M18 DM016680
137278711
Oxidation - Oxidation 1 [3] , [2]
Sotorasib Metabolite M21 DM016716
145946085
Unclear 1 [3]
Sotorasib Metabolite M24 DM016816
156409850
Oxidation - Oxidation 1 [3] , [2]
Sotorasib Metabolite M9 DM017615 N. A. Unclear 1 [3]
Sotorasib Metabolite M3 DM017616 N. A. Unclear 2 [3]
Sotorasib Metabolite M30 DM017607 N. A. Hydrolysis - Hydrolysis 2 [3] , [2]
Sotorasib Metabolite M52 DM017614 N. A. Unclear 2 [3]
Sotorasib Metabolite M6 DM017612 N. A. Unclear 2 [3]
Sotorasib Metabolite M10 DM017608 N. A. Hydrolysis - Hydrolysis 3 [3]
Sotorasib Metabolite M37 DM017613 N. A. Unclear 3 [3]
Sotorasib Metabolite M61 DM016066
36063185
Unclear 3 [3]
Sotorasib Metabolite M20 DM017611 N. A. Unclear 4 [3]
Sotorasib Metabolite M55 DM016694
139592519
Oxidation - Oxidation 4 [3]
Sotorasib Metabolite M56 DM017609 N. A. Unclear 5 [3]
Sotorasib Metabolite M60 DM017610 N. A. Unclear 5 [3]
⏷ Show the Full List of 17  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013531 Sotorasib Sotorasib Metabolite M12 Hydrolysis - Hydrolysis GSTA1 [3]
MR013539 Sotorasib Sotorasib Metabolite M24 Oxidation - Oxidation CYP3A4 [3], [2]
MR013542 Sotorasib Sotorasib Metabolite M21 Unclear Unclear [3]
MR013544 Sotorasib Sotorasib Metabolite M9 Unclear Unclear [3]
MR013546 Sotorasib Sotorasib Metabolite M18 Oxidation - Oxidation CYP2C8 [3], [2]
MR013547 Sotorasib Sotorasib Metabolite M13 Unclear Unclear [3]
MR013532 Sotorasib Metabolite M12 Sotorasib Metabolite M30 Hydrolysis - Hydrolysis GGT5 ... [3], [2]
MR013543 Sotorasib Metabolite M21 Sotorasib Metabolite M52 Unclear Unclear [3]
MR013540 Sotorasib Metabolite M24 Sotorasib Metabolite M6 Unclear Unclear [3]
MR013545 Sotorasib Metabolite M9 Sotorasib Metabolite M3 Unclear Unclear [3]
MR013533 Sotorasib Metabolite M30 Sotorasib Metabolite M10 Hydrolysis - Hydrolysis BLMH [3]
MR013538 Sotorasib Metabolite M30 Sotorasib Metabolite M61 Unclear Unclear [3]
MR013541 Sotorasib Metabolite M6 Sotorasib Metabolite M37 Unclear Unclear [3]
MR013534 Sotorasib Metabolite M10 Sotorasib Metabolite M55 Oxidation - Oxidation Unclear [3]
MR013537 Sotorasib Metabolite M10 Sotorasib Metabolite M20 Unclear Unclear [3]
MR013535 Sotorasib Metabolite M55 Sotorasib Metabolite M56 Unclear Unclear [3]
MR013536 Sotorasib Metabolite M55 Sotorasib Metabolite M60 Unclear Unclear [3]
⏷ Show the Full List of 17 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
#NAME? DMEN252 Homo sapiens Not Available Not Available [2]
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A (CYP3A) DMEN065 . Not Available Not Available [2]
Gamma-glutamyltranspeptidase 1 (GGT1) DME0498 Homo sapiens
GGT1_HUMAN
3.4.19.13
[2]
References
1 ClinicalTrials.gov (NCT04303780) Study to Compare AMG 510 Proposed INN Sotorasib With Docetaxel in Non Small Cell Lung Cancer (NSCLC) (CodeBreak 200).. U.S. National Institutes of Health.
2 Absorption, metabolism and excretion of [(14)C]-sotorasib in healthy male subjects: characterization of metabolites and a minor albumin-sotorasib conjugate
3 Absorption, Distribution, Metabolism, and Excretion of [(14)C]-Sotorasib in Rats and Dogs: Interspecies Differences in Absorption, Protein Conjugation and Metabolism

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