CHEMBL5222200
SMILES | O=C1CCc2ccccc2N1CCCN1CCN(c2ccc(Cl)cc2)CC1 |
InChIKey | WCAGCKMTLAATQU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 383.2 |
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 | 8.83 | 9.0 | 9.18 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.61 | 5.61 | 5.61 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.26 | 5.26 | 5.26 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 4.98 | 6.0 | 6.6 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pEC50 | 7.29 | 7.29 | 7.29 | ChEMBL |