CHEMBL5432942 [389140]
CHEMBL5432942
| SMILES | O=C(O)c1cc(F)c2nc(CN3CCN(c4cccc(OCc5ccc(Cl)cc5F)n4)C=N3)n(C[C@@H]3CCO3)c2c1 |
| InChIKey | NHXXISSOEOFQIF-FQEVSTJZSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Log P | 4.694 |
| Molecular weight (Da) | 582.2 |
| 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 |
CHEMBL5432942
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