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
Download Molfile XML SDF
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 (Bronsted 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
(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
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 Waiting for Citations Type Source
32828422 PubMed citation Europe PMC
Last Modified
06 February 2023