CHEMBL1851968
SMILES | CN1CCc2cc(SC[C@@H](N)C(=O)O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 |
InChIKey | QCEAYDMNZTWNGV-HUUCEWRRSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 386.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 7.26 | 7.26 | 7.26 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Rat | Dopamine | A | pEC50 | 6.7 | 6.7 | 6.7 | ChEMBL |