NSC 23766 trihydrochloride (CHEBI:144949)

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CHEBI:144949 - NSC 23766 trihydrochloride

ChEBI ID	CHEBI:144949
ChEBI Name	NSC 23766 trihydrochloride
Stars
Definition	A 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 Modified	26 September 2019
Submitter	sabrina, zfin
Downloads	Molfile

Formula	C24H35N7.3HCl
Net Charge	0
Average Mass	530.976
Monoisotopic Mass	529.22543
SMILES	CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1.Cl.Cl.Cl
InChI	InChI=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
InChIKey	CPUHORIUXPQCHW-UHFFFAOYSA-N

Roles Classification

Biological Roles:

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).

apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

muscarinic antagonist A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.

antiviral agent A substance that destroys or inhibits replication of viruses.

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 23766·3HCl	SUBMITTER
NSC-23766·3HCl	ChEBI
NSC23766·3HCl	ChEBI

Registry Numbers	Sources
CAS:1177865-17-6	SUBMITTER