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Chemical structure of CC-671

GC19089

CC-671

Also known as 4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide

CC-671 is a dual TTK protein kinase/CDC2-like kinase (CLK2) inhibitor with IC50s of 0·005 and 0·006 uM for TTK and CLK2, respectively

ChemicalCAS1618658-88-0MW512.56FormulaC28H28N6O4
CAS number
1618658-88-0
Molecular weight
512.56
Formula
C28H28N6O4
Solubility
DMSO ： ≥ 60 mg/mL (117·06 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
CWJLAVRXVFHDSJ-UHFFFAOYSA-N
Catalogue number
GC19089
Brand
GLPBIO
Computed properties PubChem CID 117881270 · XLogP 5.2 · TPSA 127 Ų · H-bond donors 3
XLogP
5.2
TPSA
127 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
38

SMILES CC1=NC2=C(O1)C=C(C=C2)C3=CNC4=C3C(=NC(=N4)NC5=C(C=C(C=C5)C(=O)NC)OC)OC6CCCC6

Computed descriptors from PubChem (CID 117881270), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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