CHEMBL3798807 [277112]
CHEMBL3798807
| SMILES | CCc1cc(-c2noc(-c3sc(CN(C)CC(C)C)c(C)c3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO |
| InChIKey | QQCRLMZNIPHVFY-QFIPXVFZSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 13 |
| Log P | 3.889 |
| Molecular weight (Da) | 544.3 |
| 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 |
CHEMBL3798807
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