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Chemical structure of GDC-6036

GC64510

GDC-6036

Also known as 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one

GDC-6036 (compound 17a) is a potent K-Ras G12C inhibitor with an IC50 of ＜0·01 μM· GDC-6036 has an EC50 of 2 nM in K-Ras G12C-alkylation HCC1171 cells

ChemicalCAS2417987-45-0MW622.06FormulaC29H32ClF4N7O2
CAS number
2417987-45-0
Molecular weight
622.06
Formula
C29H32ClF4N7O2
InChIKey
ZRBPIAWWRPFDPY-IRXDYDNUSA-N
Catalogue number
GC64510
Brand
GLPBIO
Computed properties PubChem CID 146624881 · XLogP 5.4 · TPSA 101 Ų · H-bond donors 1
XLogP
5.4
TPSA
101 Ų
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
6
Heavy atoms
43

SMILES C[C@H]1CN(CCN1C2=NC(=NC3=C(C(=C(C=C32)Cl)C4=C(C(=CC(=N4)N)C)C(F)(F)F)F)OC[C@@H]5CCCN5C)C(=O)C=C

Computed descriptors from PubChem (CID 146624881), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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