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> Main
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
(1
S
,2
S
)-
2-
(2-
{[3-
(1
H
-
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
Types
Sources
14718587
PubMed citation
Europe PMC
16007233
PubMed citation
Europe PMC
21256842
PubMed citation
Europe PMC
23658789
PubMed citation
Europe PMC
24989838
PubMed citation
Europe PMC
25471482
PubMed citation
Europe PMC
25622555
PubMed citation
Europe PMC
25989794
PubMed citation
Europe PMC
29622412
PubMed citation
Europe PMC
31030724
PubMed citation
Europe PMC
31235271
PubMed citation
Europe PMC
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