CHEMBL3647011 [253641]
CHEMBL3647011
| SMILES | CO[C@H]1C[C@H]2CC[C@@H](C1)N2c1nc(-c2c(C)ccc3[nH]nc(C)c23)nc2c1CN(c1c(F)c(C3CC3)nn1C)CC2 |
| InChIKey | SNNHLZRBQMHXLS-AERCQKQUSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Log P | 5.096 |
| Molecular weight (Da) | 556.3 |
| 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 |
CHEMBL3647011
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