CHEMBL448891
SMILES | COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2 |
InChIKey | DIHXHTWYVOYYDC-INIZCTEOSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 341.2 |
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 |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.97 | 7.13 | 7.3 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.83 | 6.83 | 6.83 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.27 | 6.39 | 6.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Human | Dopamine | A | pEC50 | 5.87 | 5.87 | 5.87 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pIC50 | 4.67 | 4.67 | 4.67 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 6.72 | 6.72 | 6.72 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 4.73 | 4.73 | 4.73 | ChEMBL |