CHEMBL5968136 [446081]
CHEMBL5968136
| SMILES | C[C@H](C(=O)O)[C@H](c1cccc(OCC2CC(Oc3ccc(OC(F)F)nc3)C2)c1)C1CC1 |
| InChIKey | XLOGJWWOIRNQHC-DWLWTMQCSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 11 |
| Log P | 5.134 |
| Molecular weight (Da) | 447.2 |
| Stereochemistry info | partial |
Database connections
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 |
CHEMBL5968136
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