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Chemical structure of TIM-063

GC71047

TIM-063

Also known as 18-hydroxy-17-nitro-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one

TIM-063 is a selective and cell-permeable CaMKK inhibitor, ATP competitive inhibitor, can directly target the catalytic domain of CaMKK, with the Ki values of 0·35 μM and 0·2 μM for CaMKKα and CaMKKβ, respectively, the IC50 values are 0·63 μM and 0·96 μM, respectively

ChemicalCAS2493978-38-2MW331.28FormulaC18H9N3O4
CAS number
2493978-38-2
Molecular weight
331.28
Formula
C18H9N3O4
InChIKey
RDNQPAWXXJDVPO-UHFFFAOYSA-N
Catalogue number
GC71047
Brand
GLPBIO
Computed properties PubChem CID 166642637 · XLogP 4 · TPSA 101 Ų · H-bond donors 1
XLogP
4
TPSA
101 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
25

SMILES C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=CC5=C4C3=CC(=C5[N+](=O)[O-])O

Computed descriptors from PubChem (CID 166642637), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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