CHEMBL5852859 [425354]
CHEMBL5852859
| SMILES | COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(Oc5ccc(-c6nnn[nH]6)cc5)ccc(F)c43)ccc21 |
| InChIKey | ZRBHOTJTKKDHNH-WAIKUNEKSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Log P | 4.904 |
| Molecular weight (Da) | 502.2 |
| Stereochemistry info | full |
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 |
CHEMBL5852859
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