CHEMBL5951900 [442495]
CHEMBL5951900
| SMILES | COc1cc(F)cc2c1nc(N)n1nc([C@@H]3CC[C@H](C)N(c4cn(CC(C)(C)O)nc4C)C3)nc21 |
| InChIKey | NQRCZGYBNMUALG-DZGCQCFKSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Log P | 3.056 |
| Molecular weight (Da) | 482.3 |
| 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 |
CHEMBL5951900
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