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Chemical structure of CHEMBL333994 (FK-480)

GC30674

CHEMBL333994 (FK-480)

Also known as N-[(11R)-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide

CHEMBL333994 (FK-480) is a potent and orally effective Cholecystokinin A (CCK-A) antagonist, with an IC50 of 0·67 nM

ChemicalCAS167820-10-2MW438.45FormulaC26H19FN4O2
CAS number
167820-10-2
Molecular weight
438.45
Formula
C26H19FN4O2
Solubility
Soluble in DMSO
InChIKey
WKJDXKWFGJWGAS-DEOSSOPVSA-N
Catalogue number
GC30674
Brand
GLPBIO
Computed properties PubChem CID 10455790 · XLogP 4.3 · TPSA 77.6 Ų · H-bond donors 2
XLogP
4.3
TPSA
77.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
33

SMILES C1CN2C(=O)[C@@H](N=C(C3=CC=CC1=C32)C4=CC=CC=C4F)NC(=O)C5=CC6=CC=CC=C6N5

Computed descriptors from PubChem (CID 10455790), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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