CHEMBL4865583 [368996]
CHEMBL4865583
| SMILES | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2(C)CC2)nn1C1CCCC1 |
| InChIKey | IJRMHTGZAVAGLH-QFIPXVFZSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Log P | 4.716 |
| Molecular weight (Da) | 551.3 |
| 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 |
CHEMBL4865583
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