NNC 55-0396 dihydrochloride (CHEBI:194301)

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CHEBI:194301 - NNC 55-0396 dihydrochloride

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ChEBI ID	CHEBI:194301
ChEBI Name	NNC 55-0396 dihydrochloride
Stars
Definition	The dihydrochloride salt of NNC 55-0396. It is a stable analogue of mibefradil and a highly selective T-type calcium channel blocker.
Last Modified	6 February 2023
Submitter	TheOtherDave
Downloads	Molfile

Formula	C30H38FN3O2.2HCl
Net Charge	0
Average Mass	564.573
Monoisotopic Mass	563.24816
SMILES	CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2n1)OC(=O)C1CC1.Cl.Cl
InChI	InChI=1S/C30H38FN3O2.2ClH/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27;;/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33);2*1H/t28-,30-;;/m0../s1
InChIKey	BCCQNBXHUMKLFW-HNQRYHMESA-N

Roles Classification

Biological Roles:	apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. T-type calcium channel blocker Any agent that interferes with the activity of T-type calcium channels. potassium channel blocker An agent that inhibits cell membrane glycoproteins that are selectively permeable to potassium ions.
Applications:	neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. angiogenesis inhibitor An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.

ChEBI Ontology

Outgoing Relation(s)
	NNC 55-0396 dihydrochloride (CHEBI:194301) has part NNC 55-0396 (free base) (CHEBI:194337)
	NNC 55-0396 dihydrochloride (CHEBI:194301) has role angiogenesis inhibitor (CHEBI:48422)
	NNC 55-0396 dihydrochloride (CHEBI:194301) has role antineoplastic agent (CHEBI:35610)
	NNC 55-0396 dihydrochloride (CHEBI:194301) has role apoptosis inducer (CHEBI:68495)
	NNC 55-0396 dihydrochloride (CHEBI:194301) has role neuroprotective agent (CHEBI:63726)
	NNC 55-0396 dihydrochloride (CHEBI:194301) has role potassium channel blocker (CHEBI:50509)
	NNC 55-0396 dihydrochloride (CHEBI:194301) has role T-type calcium channel blocker (CHEBI:194338)
	NNC 55-0396 dihydrochloride (CHEBI:194301) is a hydrochloride (CHEBI:36807)

IUPAC Name
(1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl cyclopropanecarboxylate dihydrochloride

Synonyms	Source
NNC 55-0396	ChEBI
NNC-55-0396	ChEBI
NNC-55-0396 dihydrochloride	ChEBI

Manual Xrefs	Databases
19031468	ChemSpider
DBSALT003251	DrugBank
LSM-3754	LINCS

Registry Numbers	Sources
CAS:357400-13-6	DrugBank

Citations