CHEMBL5633400 [393430]
CHEMBL5633400
| SMILES | COCCN(CCOC)C(=O)[C@]12C[C@H]1[C@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@@H](O)[C@H]2O |
| InChIKey | JUMLBXJGBLLWEQ-VRWJJGQISA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 12 |
| Log P | 1.484 |
| Molecular weight (Da) | 534.2 |
| 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 |
CHEMBL5633400
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