CHEMBL4598390
| SMILES | Fc1ccc(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1 |
| InChIKey | YQURRFMFHGHBTQ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 396.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GPR6 | GPR6 | Human | A orphans | A | pKi | 8.15 | 8.15 | 8.15 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GPR6 | GPR6 | Human | A orphans | A | pIC50 | 7.68 | 7.68 | 7.68 | ChEMBL |
| GPR6 | GPR6 | Human | A orphans | A | pEC50 | 4.41 | 4.41 | 4.41 | ChEMBL |