CHEMBL5945120 [443921]
CHEMBL5945120
| SMILES | Cc1cc2nc(N)n3nc([C@@H]4CC[C@H](C)N(c5cnn(CC(C)(C)O)c5)C4)nc3c2cc1F |
| InChIKey | CBUFEJWSAUUJFS-LSDHHAIUSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 4 |
| Log P | 3.047 |
| Molecular weight (Da) | 452.2 |
| 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 |
CHEMBL5945120
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