CHEMBL1082201 [20712]
CHEMBL1082201
| SMILES | Cc1nnc(C)n1[C@@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOCC3)c3cccc(F)c3)C[C@@H]2C1 |
| InChIKey | WKSLSTLBQGAPKU-VRUIKYSZSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Log P | 3.591 |
| Molecular weight (Da) | 469.3 |
| Stereochemistry info | full |
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 |
CHEMBL1082201
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