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Chemical structure of LY3295668 (AK-01)

GC33057

LY3295668 (AK-01)

Also known as (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid

LY3295668 (AK-01) (AK-01) is a potent, orally active and highly specific Aurora-A kinase inhibitor, with Ki values of 0·8 nM and 1038 nM for AurA and AurB, respectively

ChemicalCAS1919888-06-4MW489.95FormulaC24H26ClF2N5O2
CAS number
1919888-06-4
Molecular weight
489.95
Formula
C24H26ClF2N5O2
Solubility
DMSO ： 150 mg/mL (306·15 mM)
InChIKey
YQQZZYYQTCPEAS-OYLFLEFRSA-N
Catalogue number
GC33057
Brand
GLPBIO
Computed properties PubChem CID 121333423 · XLogP 2.4 · TPSA 94.1 Ų · H-bond donors 3
XLogP
2.4
TPSA
94.1 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
34

SMILES C[C@@H]1C[C@](CCN1CC2=C(C(=CC=C2)Cl)F)(CC3=C(C=CC(=N3)NC4=NNC(=C4)C)F)C(=O)O

Computed descriptors from PubChem (CID 121333423), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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