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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: | 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. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. |
| Applications: | 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. |
| 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 |
|---|