L-778123
4-[[5-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile
Molecular Identity
L-778123
4-[[5-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID: 216454
L-778,123 (free base) is a member of the class of imidazoles that is 1H-imidazole substituted by (4-cyanophenyl)methyl and [4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl groups at positions 1 and 5, respectively. It is a dual inhibitor of FPTase and GGPTase-I. It has a role as an antineoplastic agent, an EC 2.5.1.58 (protein farnesyltransferase) inhibitor and an EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor. It is a nitrile, a member of imidazoles, a piperazinone, a tertiary amino compound and a member of monochlorobenzenes.
2D Structure
Properties
C22H20ClN5O
Molecular Formula
405.90
Molecular Weight
g/mol
405.1356
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
65.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
614
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
L-778123L-778,123RefChem:1517762A2059P49UL 778,123L778123183499-57-2L-778123 free base4-((5-((4-(3-chlorophenyl)-3-oxopiperazin-1-yl)methyl)-1H-imidazol-1-yl)methyl)benzonitrile4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILEC22H20ClN5O31ZXM8ZKQ3CHEMBL2794334-[[5-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrileBenzonitrile, 4-((5-((4-(3-chlorophenyl)-3-oxo-1-piperazinyl)methyl)-1H-imidazol-1-yl)methyl)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to L-778123
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