CHEMBL2398731 [181972]
CHEMBL2398731
| SMILES | CC(C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |
| InChIKey | VOAOTBHWMPXSAD-BWKNWUBXSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 6 |
| Log P | 2.888 |
| Molecular weight (Da) | 521.2 |
| 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 |
CHEMBL2398731
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