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CHEBI:194301 - NNC 55-0396 dihydrochloride
| Formula | C30H38FN3O2.2HCl |
| Net Charge | 0 |
| Average Mass | 564.573 |
| Monoisotopic Mass | 563.24816 |
| SMILES | CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2n1)OC(=O)C1CC1.Cl.Cl |
| 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 |
| Roles Classification |
|---|
| Biological Roles: | 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. T-type calcium channel blocker Any agent that interferes with the activity of T-type calcium channels. |
| Applications: | 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. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 |
|---|
| (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 dihydrochloride |
| Synonyms | Source |
|---|---|
| NNC-55-0396 | ChEBI |
| NNC 55-0396 | ChEBI |
| NNC-55-0396 dihydrochloride | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LSM-3754 | LINCS |
| DBSALT003251 | DrugBank |
| 19031468 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:357400-13-6 | DrugBank |
| Citations |
|---|