CHEBI:194301 - NNC 55-0396 dihydrochloride

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ChEBI Name NNC 55-0396 dihydrochloride
ChEBI ID CHEBI:194301
Definition The dihydrochloride salt of NNC 55-0396. It is a stable analogue of mibefradil and a highly selective T-type calcium channel blocker.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter TheOtherDave
Supplier Information
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Formula C30H38FN3O2.ClH.ClH
Net Charge 0
Average Mass 564.570
Monoisotopic Mass 563.24816
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
SMILES Cl.Cl.CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC1=NC3=CC=CC=C3N1)OC(=O)C1CC1)C=C(F)C=C2
Roles Classification
Biological Role(s): 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.
T-type calcium channel blocker
Any agent that interferes with the activity of T-type calcium channels.
Application(s): 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.
angiogenesis inhibitor
An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
NNC 55-0396 ChEBI
NNC-55-0396 ChEBI
NNC-55-0396 dihydrochloride ChEBI
Manual Xrefs Databases
19031468 ChemSpider
DBSALT003251 DrugBank
LSM-3754 LINCS
View more database links
Registry Number Type Source
357400-13-6 CAS Registry Number DrugBank
Citations Waiting for Citations Types Sources
14718587 PubMed citation Europe PMC
16007233 PubMed citation Europe PMC
21256842 PubMed citation Europe PMC
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24989838 PubMed citation Europe PMC
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31030724 PubMed citation Europe PMC
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32950876 PubMed citation Europe PMC
33984189 PubMed citation Europe PMC
35100604 PubMed citation Europe PMC
35367758 PubMed citation Europe PMC
Last Modified
06 February 2023