CHEMBL4785652 [356234]
CHEMBL4785652
| SMILES | Cn1nc(-c2noc(-c3ccccc3)c2C(F)(F)F)c2c1-c1ccc(CN3CC(C(=O)O)C3)cc1CC2 |
| InChIKey | ZXOPURULZMLPFY-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Log P | 5.043 |
| Molecular weight (Da) | 508.2 |
| Stereochemistry info | unspecified |
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 |
CHEMBL4785652
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