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Chemical structure of FK 888

GC13985

FK 888

Also known as (2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide

Selective, high affinity tachykinin NK1 receptor antagonist

ChemicalCAS138449-07-7MW588.69FormulaC36H36N4O4
CAS number
138449-07-7
Molecular weight
588.69
Formula
C36H36N4O4
Solubility
＜58·87mg/ml in DMSO; ＜58·87mg/ml in ethanol
InChIKey
BFNKQTIJVFGCKQ-PDJGWCFMSA-N
Catalogue number
GC13985
Brand
GLPBIO
Computed properties PubChem CID 107967 · XLogP 4.6 · TPSA 94.9 Ų · H-bond donors 2
XLogP
4.6
TPSA
94.9 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
44

SMILES CN1C=C(C2=CC=CC=C21)C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@@H](CC4=CC5=CC=CC=C5C=C4)C(=O)N(C)CC6=CC=CC=C6)O

Computed descriptors from PubChem (CID 107967), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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