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CHEBI:144949 - NSC 23766 trihydrochloride

ChEBI IDCHEBI:144949
ChEBI NameNSC 23766 trihydrochloride
Stars
DefinitionA hydrochloride resulting from the formal reaction of NSC 23766 with 3 mol eq. of hydrogen chloride. An inhibitor of the signalling G-protein known as RAC1 (Ras-related C3 botulinum toxin substrate 1).
Last Modified26 September 2019
Submittersabrina, zfin
DownloadsMolfile
FormulaC24H35N7.3HCl
Net Charge0
Average Mass530.976
Monoisotopic Mass529.22543
SMILESCCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1.Cl.Cl.Cl
InChIInChI=1S/C24H35N7.3ClH/c1-6-31(7-2)12-8-9-16(3)27-24-28-18(5)14-23(30-24)29-19-10-11-22-20(15-19)21(25)13-17(4)26-22;;;/h10-11,13-16H,6-9,12H2,1-5H3,(H2,25,26)(H2,27,28,29,30);3*1H
InChIKeyCPUHORIUXPQCHW-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
EC 3.6.5.2 (small monomeric GTPase) inhibitor  Any EC 3.6.5.* (hydrolases acting on GTP; involved in cellular and subcellular movement) inhibitor that interferes with the action of small monomeric GTPase (EC 3.6.5.2).
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
Application:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
ChEBI Ontology
Outgoing Relation(s)
NSC 23766 trihydrochloride (CHEBI:144949) has part NSC 23766 (CHEBI:144984)
NSC 23766 trihydrochloride (CHEBI:144949) has role antiviral agent (CHEBI:22587)
NSC 23766 trihydrochloride (CHEBI:144949) has role apoptosis inducer (CHEBI:68495)
NSC 23766 trihydrochloride (CHEBI:144949) has role EC 3.6.5.2 (small monomeric GTPase) inhibitor (CHEBI:144981)
NSC 23766 trihydrochloride (CHEBI:144949) has role muscarinic antagonist (CHEBI:48876)
NSC 23766 trihydrochloride (CHEBI:144949) is a hydrochloride (CHEBI:36807)
IUPAC Name 
N6-(2-{[5-(diethylamino)pentan-2-yl]amino}-6-methylpyrimidin-4-yl)-2-methylquinoline-4,6-diamine trihydrochloride
Synonyms  Source
NSC 23766·3HClSUBMITTER
NSC23766·3HClChEBI
NSC-23766·3HClChEBI
Registry NumbersSources
CAS:1177865-17-6SUBMITTER