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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:194337 - NNC 55-0396 (free base)
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ChEBI Name
NNC 55-0396 (free base)
ChEBI ID
CHEBI:194337
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:93374
Supplier Information
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Molfile
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Formula
C30H38FN3O2
Net Charge
0
Average Mass
491.651
Monoisotopic Mass
491.29481
InChI
InChI=1S/C30H38FN3O2/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)
/t28-
,30-
/m0/s1
InChIKey
VHHVPDKNKPNKHY-JDXGNMNLSA-N
SMILES
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
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
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.
angiogenesis inhibitor
An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
NNC 55-0396 (free base) (
CHEBI:194337
)
has role
angiogenesis inhibitor (
CHEBI:48422
)
NNC 55-0396 (free base) (
CHEBI:194337
)
has role
antineoplastic agent (
CHEBI:35610
)
NNC 55-0396 (free base) (
CHEBI:194337
)
has role
apoptosis inducer (
CHEBI:68495
)
NNC 55-0396 (free base) (
CHEBI:194337
)
has role
neuroprotective agent (
CHEBI:63726
)
NNC 55-0396 (free base) (
CHEBI:194337
)
has role
potassium channel blocker (
CHEBI:50509
)
NNC 55-0396 (free base) (
CHEBI:194337
)
has role
T-type calcium channel blocker (
CHEBI:194338
)
NNC 55-0396 (free base) (
CHEBI:194337
)
is a
benzimidazoles (
CHEBI:22715
)
NNC 55-0396 (free base) (
CHEBI:194337
)
is a
cyclopropanecarboxylate ester (
CHEBI:50351
)
NNC 55-0396 (free base) (
CHEBI:194337
)
is a
organofluorine compound (
CHEBI:37143
)
NNC 55-0396 (free base) (
CHEBI:194337
)
is a
tertiary amino compound (
CHEBI:50996
)
NNC 55-0396 (free base) (
CHEBI:194337
)
is a
tetralins (
CHEBI:36786
)
Incoming
NNC 55-0396 dihydrochloride (
CHEBI:194301
)
has part
NNC 55-0396 (free base) (
CHEBI:194337
)
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
Synonyms
Sources
NNC 55-0396 free base
DrugBank
NNC-55-0396 free base
ChEBI
Manual Xrefs
Databases
8132889
ChemSpider
DB17037
DrugBank
View more database links
Registry Number
Type
Source
357400-14-7
CAS Registry Number
DrugBank
Citation
Type
Source
32828422
PubMed citation
Europe PMC
Last Modified
06 February 2023