CHEMBL558838
SMILES | COc1ccccc1N1CCN(Cc2c(C)[nH]c3nc(N(C)C)ncc23)CC1 |
InChIKey | ADAZZWTYEBRRHE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 380.2 |
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 |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.17 | 5.17 | 5.17 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.19 | 8.19 | 8.19 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.21 | 5.21 | 5.21 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.54 | 5.56 | 5.58 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.54 | 5.56 | 5.59 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.21 | 5.21 | 5.21 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |