sotorasib   Click here for help

GtoPdb Ligand ID: 10678

Synonyms: AMG 510 | AMG-510 | AMG510 | compound (R)-38 [PMID: 31820981] | Lumakras® | Lumykras®
Approved drug
sotorasib is an approved drug (FDA (2021), EMA (2022))
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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2021), EMA (2022))
IUPAC Name Click here for help
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® | Lumykras®
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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