methylergonovine
SMILES | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO |
InChIKey | UNBRKDKAWYKMIV-QWQRMKEZSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 339.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
AT1 | AGTRB | Rat | Angiotensin | A | pKi | 8.99 | 8.99 | 8.99 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
AT1 | AGTRB | Rat | Angiotensin | A | pIC50 | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |