CHEMBL3646947 [253577]
CHEMBL3646947
| SMILES | CO[C@H]1C[C@H]2CC[C@@H](C1)N2c1nc(-c2c(C)cccc2C)nc2c1CN(c1cc(C3(C)COC3)ccc1C)CC2 |
| InChIKey | DDSJUHPIWKEJTD-UQWUFBTJSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Log P | 6.066 |
| Molecular weight (Da) | 538.3 |
| Stereochemistry info | full |
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 |
CHEMBL3646947
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