CHEMBL3897805
SMILES | COc1ccc(OC)c2c1C[C@H]1c3cc4c(cc3CCN1C2)OCO4 |
InChIKey | OIKSHMCSVZMXCU-INIZCTEOSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 339.1 |
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 |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.61 | 7.29 | 7.63 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.31 | 6.31 | 6.31 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Human | Dopamine | A | pIC50 | 6.32 | 6.82 | 7.32 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.2 | 6.2 | 6.2 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 5.01 | 5.01 | 5.01 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.6 | 5.6 | 5.6 | ChEMBL |