CHEMBL5882823 [428022]
CHEMBL5882823
| SMILES | COc1ccccc1-c1cc2ncc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(C)n2n1 |
| InChIKey | BYPUUNRMWBGKJI-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Log P | 4.745 |
| Molecular weight (Da) | 483.3 |
| Stereochemistry info | unspecified |
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 |
CHEMBL5882823
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