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CHEBI:194337 - NNC 55-0396 (free base)
| Formula | C30H38FN3O2 |
| Net Charge | 0 |
| Average Mass | 491.651 |
| Monoisotopic Mass | 491.29481 |
| SMILES | CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2n1)OC(=O)C1CC1 |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. T-type calcium channel blocker Any agent that interferes with the activity of T-type calcium channels. potassium channel blocker An agent that inhibits cell membrane glycoproteins that are selectively permeable to potassium ions. |
| Applications: | neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| NNC 55-0396 free base | DrugBank |
| NNC-55-0396 free base | ChEBI |
| Citations |
|---|