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CHEBI:177371 - L-778,123 hydrochloride

Default Structure
ChEBI IDCHEBI:177371
ChEBI NameL-778,123 hydrochloride
Stars
DefinitionThe hydrochloride salt of L-778,123. It is a dual inhibitor of FPTase and GGPTase-I (IC50 of 2nM and 98nm, respectively) and exhibits anti-cancer properties.
Last Modified17 September 2021
Submitterslaulederkind
DownloadsMolfile
FormulaC22H20ClN5O.HCl
Net Charge0
Average Mass442.350
Monoisotopic Mass441.11232
SMILESCl.N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1
InChIInChI=1S/C22H20ClN5O.ClH/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18;/h1-7,10,12,16H,8-9,13-15H2;1H
InChIKeyYNBSQYGTJLIPJS-UHFFFAOYSA-N
Roles Classification
Biological Roles:
EC 2.5.1.58 (protein farnesyltransferase) inhibitor  An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of protein farnesyltransferase (EC 2.5.1.58), one of the three enzymes in the prenyltransferase group.
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor  An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of protein geranylgeranyltransferase type I (EC 2.5.1.59).
Applications:
radiosensitizing agent  A drug that makes increases the sensitivity of tumour cells to radiation therapy.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
L-778,123 hydrochloride (CHEBI:177371) has part L-778,123 (free base) (CHEBI:180478)
L-778,123 hydrochloride (CHEBI:177371) has role antineoplastic agent (CHEBI:35610)
L-778,123 hydrochloride (CHEBI:177371) has role EC 2.5.1.58 (protein farnesyltransferase) inhibitor (CHEBI:64133)
L-778,123 hydrochloride (CHEBI:177371) has role EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor (CHEBI:67267)
L-778,123 hydrochloride (CHEBI:177371) has role radiosensitizing agent (CHEBI:132992)
L-778,123 hydrochloride (CHEBI:177371) is a hydrochloride (CHEBI:36807)
IUPAC Name 
4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile hydrochloride
Synonyms  Source
L 778,123ChemIDplus
L 778123ChemIDplus
L-778,123ChEBI
L-778123ChemIDplus
L778123ChemIDplus
L-778,123 HClChEBI
Manual XrefsDatabases
187600ChemSpider
Registry NumbersSources
CAS:253863-00-2ChemIDplus
Citations