CHEMBL5749455 [405846]
CHEMBL5749455
| SMILES | C/C(CNC(=O)OC(C)(C)C)=C1\SC(N2CCC3(CC2)OCc2ccccc23)=NC1=O |
| InChIKey | GEXVUHMNFIKONQ-OBGWFSINSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 2 |
| Log P | 3.936 |
| Molecular weight (Da) | 443.2 |
| 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 |
CHEMBL5749455
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