CHEMBL3112996 [214628]
CHEMBL3112996
| SMILES | O=S1(=O)CCN(S(=O)(=O)c2ccc(Cl)cc2)c2cc(Oc3cc(-c4nc(C5CC5)no4)cc(Cl)n3)c(Cl)cc21 |
| InChIKey | YWRXZPIINXPNAF-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Log P | 5.744 |
| Molecular weight (Da) | 626.0 |
| 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 |
CHEMBL3112996
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