sotorasib   Click here for help

GtoPdb Ligand ID: 10678

Synonyms: AMG 510 | AMG-510 | AMG510 | compound (R)-38 [PMID: 31820981] | Lumakras®
Approved drug
sotorasib is an approved drug (FDA (2021))
Compound class: Synthetic organic
Comment: Sotorasib (AMG510) is a covalent KRASG12C inhibitor [2] that was developed by Amgen for anti-tumour potential in KRASG12C-driven cancers. It was the first KRAS-targeting drug to be approved for clinical use.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 103.93
Molecular weight 560.23
XLogP 5.71
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES C=CC(=O)N1CCN([C@H](C1)C)c1nc(=O)n(c2c1cc(F)c(n2)c1c(O)cccc1F)c1c(C)ccnc1C(C)C
Isomeric SMILES C=CC(=O)N1CCN([C@H](C1)C)c1nc(=O)n(c2c1cc(F)c(n2)c1c(O)cccc1F)c1c(C)ccnc1C(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
InChI Key NXQKSXLFSAEQCZ-SFHVURJKSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2021))
IUPAC Name Click here for help
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
International Nonproprietary Names Click here for help
INN number INN
11370 sotorasib
Synonyms Click here for help
AMG 510 | AMG-510 | AMG510 | compound (R)-38 [PMID: 31820981] | Lumakras®
Database Links Click here for help
CAS Registry No. 2252403-56-6 (source: PubChem)
GtoPdb PubChem SID 404859125
PubChem CID 137278711
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