NICERGOLINE [61747]
NICERGOLINE
| SMILES | CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 |
| InChIKey | YSEXMKHXIOCEJA-FVFQAYNVSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Log P | 3.911 |
| Molecular weight (Da) | 483.1 |
| Stereochemistry info | full |
Database connections
| Model (Boltz2) | α1A |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
NICERGOLINE
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
1
Phase IV
2
Database connections
| Model (Boltz2) | α1A |
Sankey plot
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Drug Information
| Target | Disease | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Gene | Protein | Receptor family | Ligand type | Class | Name | Phase | ICD11 | ATC | Association score |