CHEMBL4590386 [350013]
CHEMBL4590386
| SMILES | O=S(=O)(c1ccccc1)N1CCCC12CCN(c1nc3ccccc3o1)CC2 |
| InChIKey | KIKWLYIDCILHAP-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Log P | 3.652 |
| Molecular weight (Da) | 397.1 |
| Stereochemistry info | unspecified |
Database connections
| Structure pdb | 6TQ4 |
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 |
CHEMBL4590386
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
Database connections
| Structure pdb | 6TQ4 |