CHEMBL3731064 [273347]
CHEMBL3731064
| SMILES | CC(C)CCN1CCC(NC(=O)[C@H]2[C@H](C(=O)NCCc3ccc(Cl)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1 |
| InChIKey | UUWLNDTXRNCWBD-BKKFENPESA-N |
Chemical Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Log P | 4.454 |
| Molecular weight (Da) | 497.3 |
| 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 |
CHEMBL3731064
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