CHEMBL5918530 [423895]
CHEMBL5918530
| SMILES | COc1ccc(CNc2nc3c(OC)cc(F)cc3c3nc([C@@H]4C[C@H](F)CN(c5cnn(CC(C)(C)O)c5)C4)nn23)c(OC)c1 |
| InChIKey | KNQRBVIESPJOCL-CTNGQTDRSA-N |
Chemical Properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 10 |
| Log P | 4.354 |
| Molecular weight (Da) | 622.3 |
| Stereochemistry info | full |
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 |
CHEMBL5918530
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