CHEMBL185937 [139074]
CHEMBL185937
| SMILES | C=C(C)CCN1[C@@H]2CC[C@H]1C/C(=C(/c1ccc(C(=O)NCC)cc1)c1cccc(C(C)=O)c1)C2 |
| InChIKey | BNEJMAVUXISIQN-VEORFTPKSA-N |
Chemical Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Log P | 6.034 |
| Molecular weight (Da) | 456.3 |
| Stereochemistry info | full |
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 |
CHEMBL185937
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