CHEMBL2181691 [164476]
CHEMBL2181691
| SMILES | Cc1cc(S(C)(=O)=O)ccc1N1CCc2c(OC3CCN(C(=O)OC(C)C)CC3)ncnc21 |
| InChIKey | QTPXWAYFIFJGGF-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Log P | 3.271 |
| Molecular weight (Da) | 474.2 |
| 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 |
CHEMBL2181691
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