CHEMBL3586030 [240185]
CHEMBL3586030
| SMILES | O=C(NC[C@H]1COc2ccccc2O1)c1cc(N2C[C@H]3CC[C@@H](C2)O3)cnc1NCc1ccc2c(c1)OCO2 |
| InChIKey | BILKSVCFTGINAF-BDTNDASRSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Log P | 3.360 |
| Molecular weight (Da) | 530.2 |
| 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 |
CHEMBL3586030
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