CHEMBL3982119
SMILES | COc1cc2c(cc1OC)[C@@H]1Cc3c(OC)ccc(OC)c3CN1CC2 |
InChIKey | MLYZNZVURPVMPQ-KRWDZBQOSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 355.2 |
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 | Human | Dopamine | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Human | Dopamine | A | pIC50 | 6.99 | 6.99 | 6.99 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.76 | 5.76 | 5.76 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 5.39 | 5.39 | 5.39 | ChEMBL |