CHEMBL6048321 [463312]
CHEMBL6048321
| SMILES | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3scc(-c4cc(NS(C)(=O)=O)ccc4C)c3c2)cc1 |
| InChIKey | NHXUWGRFEAUONV-QFIPXVFZSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Log P | 6.409 |
| Molecular weight (Da) | 533.1 |
| Stereochemistry info | full |
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 |
CHEMBL6048321
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