Ro 10-4548 [6797]
Ro 10-4548
| SMILES | COc1cc(N2CCN(CC(O)COc3ccccc3NC(C)=O)CC2)ccc1O |
| InChIKey | MXZGRDMOUWOERR-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 8 |
| Log P | 1.921 |
| Molecular weight (Da) | 415.2 |
| Stereochemistry info | unspecified |
Database connections
| Ligand site mutations | D4 |
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 |
Ro 10-4548
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Database connections
| Ligand site mutations | D4 |