CHEMBL246439
SMILES | Cc1[nH]c2ccccc2c1CN1CCC(O)(c2ccc(Cl)cc2)CC1 |
InChIKey | CMIREZHKYCLJMD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 354.2 |
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 | 5.52 | 5.52 | 5.52 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.36 | 7.36 | 7.36 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.81 | 7.81 | 7.81 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 8.67 | 8.67 | 8.67 | ChEMBL |