CHEMBL4459989 [335785]
CHEMBL4459989
| SMILES | CC(C)NC[C@H](O)COc1ccccc1CCC(=O)NCCCNC(=O)CCc1ccccc1OC[C@@H](O)CNC(C)C |
| InChIKey | ZFLWXFCBLMDJMC-VMPREFPWSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 22 |
| Log P | 2.350 |
| Molecular weight (Da) | 600.4 |
| 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 |
CHEMBL4459989
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