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

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