CHEMBL3697081 [260197]
CHEMBL3697081
| SMILES | COc1cc(CN(C[C@H]2CC[C@H](C(=O)O)CC2)C2CCc3cc(Cl)ccc32)ccc1CCCN1C(=O)CCC1=O |
| InChIKey | PHYKEKFBKMAHAX-ITWWZVDYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 11 |
| Log P | 5.811 |
| Molecular weight (Da) | 566.3 |
| Stereochemistry info | unspecified |
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 |
CHEMBL3697081
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