| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Salt-form |
| UNII | MRU5XH3B48 |
| Parent Compound: | ERGOTAMINE |
| InChI Key | CJMJLDQKTOJACI-SEUSHGJOSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C70H76N10O16 |
| Molecular Weight | 1313.43 |
| AlogP | 1.99 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 118.21 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 43.0 |
|
Protein: Adrenergic receptor alpha Description: Alpha-2A adrenergic receptor Organism : Homo sapiens P08913 ENSG00000150594 |
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Protein: Adrenergic receptor alpha Description: Alpha-2B adrenergic receptor Organism : Homo sapiens P18089 ENSG00000274286 |
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Protein: Adrenergic receptor alpha Description: Alpha-2C adrenergic receptor Organism : Homo sapiens P18825 ENSG00000184160 |
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Protein: Adrenergic receptor alpha Description: Alpha-1D adrenergic receptor Organism : Homo sapiens P25100 ENSG00000171873 |
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Protein: Serotonin 1d (5-HT1d) receptor Description: 5-hydroxytryptamine receptor 1D Organism : Homo sapiens P28221 ENSG00000179546 |
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Protein: Adrenergic receptor alpha Description: Alpha-1A adrenergic receptor Organism : Homo sapiens P35348 ENSG00000120907 |
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Protein: Adrenergic receptor alpha Description: Alpha-1B adrenergic receptor Organism : Homo sapiens P35368 ENSG00000170214 |
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| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2448612 |
| FDA SRS | MRU5XH3B48 |
| PubChem | 9787 |
| SureChEMBL | SCHEMBL12481537 |