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CHEBI:177371 - L-778,123 hydrochloride

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 2.5.1.59 (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).
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.
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-778,123 hydrochlorideSUBMITTER
L-778123 hydrochlorideSUBMITTER
L-778123ChemIDplus
L 778123ChemIDplus
L 778,123ChemIDplus
L778123ChemIDplus
Manual XrefsDatabases
187600ChemSpider
Registry NumbersSources
CAS:253863-00-2ChemIDplus
Citations