CHEMBL5542319 [390458]
CHEMBL5542319
| SMILES | COCc1cc(OC)c(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCC2(C)CCC2)cc1O[C@H]1CC[C@@](C)(C(=O)O)CC1 |
| InChIKey | JVKAXLGUJXSOMB-MDXVGFFTSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 11 |
| Log P | 4.705 |
| Molecular weight (Da) | 570.3 |
| Stereochemistry info | partial |
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 |
CHEMBL5542319
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