CHEMBL6040821 [462530]
CHEMBL6040821
| SMILES | C[C@@H]1CN(c2cccc3c2CN(c2ncc(-c4ccccc4)s2)CC3)CCN1C(=O)Cn1cnc2cccnc21 |
| InChIKey | DSZDCDNQXRMPLJ-JOCHJYFZSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Log P | 4.855 |
| Molecular weight (Da) | 549.2 |
| Stereochemistry info | full |
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 |
CHEMBL6040821
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