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CHEBI:196955 - atogepant
| Formula | C29H23F6N5O3 |
| Net Charge | 0 |
| Average Mass | 603.523 |
| Monoisotopic Mass | 603.17051 |
| SMILES | [H][C@@]1(c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N(CC(F)(F)F)[C@@H]1C |
| InChI | InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1 |
| InChIKey | QIVUCLWGARAQIO-OLIXTKCUSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Role: | calcitonin gene-related peptide receptor antagonist An antagonist at any calcitonin gene-related peptide receptor. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| atogepant (CHEBI:196955) has role calcitonin gene-related peptide receptor antagonist (CHEBI:196956) |
| atogepant (CHEBI:196955) is a azaspiro compound (CHEBI:35624) |
| atogepant (CHEBI:196955) is a organic heterotetracyclic compound (CHEBI:38163) |
| atogepant (CHEBI:196955) is a piperidones (CHEBI:48589) |
| atogepant (CHEBI:196955) is a secondary carboxamide (CHEBI:140325) |
| atogepant (CHEBI:196955) is a trifluorobenzene (CHEBI:83576) |
| IUPAC Name |
|---|
| (3'S)-N-[(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl]-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxamide |
| INNs | Source |
|---|---|
| atogepant | WHO MedNet |
| atogepant | WHO MedNet |
| atogepantum | WHO MedNet |
| atogépant | WHO MedNet |
| Synonyms | Source |
|---|---|
| AGN-241689 | DrugBank |
| MK-8031 | DrugBank |
| Brand Name | Source |
|---|---|
| Qulipta | ChEBI |
| Citations |
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