CHEMBL5986004 [447679]
CHEMBL5986004
| SMILES | COc1ccc([C@@H](OC(=O)c2ccc(CN3CCC(C(=O)O[C@H]4CN5CCC4CC5)(c4ccccc4)CC3)cc2)Oc2c(Cl)c[n+]([O-])cc2Cl)cc1OC |
| InChIKey | VWARGAFMPSNYJT-QWOBHEBOSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 12 |
| Log P | 6.750 |
| Molecular weight (Da) | 775.2 |
| 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 |
CHEMBL5986004
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