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Chemical structure of GGTI 2133

GC18607

GGTI 2133

Also known as (2S)-2-[[4-(1H-imidazol-5-ylmethylamino)-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoic acid

GGTI 2133 is a peptidomimetic inhibitor of geranylgeranyl transferase type I (GGTase I; IC50 = 38 nM)

ChemicalCAS191102-79-1MW456.5FormulaC27H28N4O3
CAS number
191102-79-1
Molecular weight
456.5
Formula
C27H28N4O3
Solubility
DMSO : 100 mg/mL (219·04 mM; Need ultrasonic)
InChIKey
ODTFPKNIFYMEHP-VWLOTQADSA-N
Catalogue number
GC18607
Brand
GLPBIO
Computed properties PubChem CID 9846868 · XLogP 5 · TPSA 107 Ų · H-bond donors 4
XLogP
5
TPSA
107 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
34

SMILES CC(C)C[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C3=CC=CC4=CC=CC=C43

Computed descriptors from PubChem (CID 9846868), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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