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Chemical structure of CLK1-IN-3

GC73224

CLK1-IN-3

Also known as N-[3-(5-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(4-methylpiperazin-1-yl)benzamide

CLK1-IN-3 (compound 10ad) is a potent and selective Clk1 inhibitor, with an IC50 of 5 nM and over 300-fold selectivity for Dyrk1A

ChemicalCAS2922550-28-3MW430.48FormulaC24H23FN6O
CAS number
2922550-28-3
Molecular weight
430.48
Formula
C24H23FN6O
Solubility
DMSO ： 100 mg/mL (232·30 mM; Need ultrasonic)
InChIKey
LQKHTRXKHPHEPP-UHFFFAOYSA-N
Catalogue number
GC73224
Brand
GLPBIO
Computed properties PubChem CID 168355546 · XLogP 2.7 · TPSA 77.2 Ų · H-bond donors 2
XLogP
2.7
TPSA
77.2 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
32

SMILES CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(NC=C4C5=CC(=CN=C5)F)N=C3

Computed descriptors from PubChem (CID 168355546), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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