CHEMBL5889893 [428626]
CHEMBL5889893
| SMILES | Cc1cccc(OCC(C)C)c1-n1nc2c(c1-c1ccc(NC(N)=O)cc1)CN(S(=O)(=O)c1ccccc1C(F)(F)F)CC2 |
| InChIKey | XYGLOULXXTYURY-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Log P | 6.139 |
| Molecular weight (Da) | 627.2 |
| 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 |
CHEMBL5889893
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