CHEMBL5886088 [428303]
CHEMBL5886088
| SMILES | COc1ccc(C[C@@H](NC(=O)CCc2c[nH]cn2)C(=O)N2CC(OCC3CC3)(c3ccccc3C)C2)cc1 |
| InChIKey | NTUNVXIQKNPCBR-HHHXNRCGSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Log P | 3.551 |
| Molecular weight (Da) | 516.3 |
| 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 |
CHEMBL5886088
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