CHEMBL5830917 [413539]
CHEMBL5830917
| SMILES | COc1cc(OC)c(F)c(-c2ccc(F)c3c2CC[C@H]3Nc2cnc([C@H]3C[C@@H]3C(=O)O)cn2)c1F |
| InChIKey | YDXRZZNAKCEVKE-OFQRWUPVSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Log P | 4.866 |
| Molecular weight (Da) | 485.2 |
| Stereochemistry info | partial |
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 |
CHEMBL5830917
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