landiolol [4629]
landiolol
| SMILES | CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1 |
| InChIKey | WMDSZGFJQKSLLH-RBBKRZOGSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 13 |
| Log P | 0.685 |
| Molecular weight (Da) | 509.3 |
| Stereochemistry info | full |
Database connections
| Model (Boltz2) | β1 |
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 |
landiolol
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
2
Phase IV
3
Database connections
| Model (Boltz2) | β1 |
Sankey plot
, 'sankey.svg');){kind=link}
, 'sankey.png');){kind=link}
,'sankey.jpg');){kind=link}
Drug Information
| Target | Disease | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Gene | Protein | Receptor family | Ligand type | Class | Name | Phase | ICD11 | ATC | Association score |