latanoprost (isopropyl ester) [4656]
latanoprost (isopropyl ester)
| SMILES | CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O |
| InChIKey | GGXICVAJURFBLW-CEYXHVGTSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 13 |
| Log P | 4.186 |
| Molecular weight (Da) | 432.3 |
| Stereochemistry info | full |
Database connections
| Model (Boltz2) | FP |
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 |
latanoprost (isopropyl ester)
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
0
Phase II
1
Phase III
1
Phase IV
3
Database connections
| Model (Boltz2) | FP |
Sankey plot
Drug Information
| Target | Disease | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Gene | Protein | Receptor family | Ligand type | Class | Name | Phase | ICD11 | ATC | Association score |