CHEMBL198668 [144606]
CHEMBL198668
| SMILES | COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(C(=O)NCc2cccc(CNC(=O)C3CCN(CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)c2)CC1 |
| InChIKey | BBFDGHWDPNCAJJ-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 16 |
| Log P | 4.545 |
| Molecular weight (Da) | 812.3 |
| Stereochemistry info | unspecified |
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 |
CHEMBL198668
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