CHEMBL5221670
SMILES | COc1ccc(N2CCN(CCCN3C(=O)CCc4ccccc43)CC2)cc1 |
InChIKey | IPZLHIDFKOMHRW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 379.2 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.16 | 8.16 | 8.16 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.08 | 5.08 | 5.08 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 4.68 | 4.68 | 4.68 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 6.41 | 6.65 | 6.97 | ChEMBL |