CHEMBL288090
SMILES | C=CCN1CCc2cc(O)c(O)cc2C(c2ccccc2)C1 |
InChIKey | QBUVZVXIRYFENV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 295.2 |
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 |
D1 | DRD1 | Human | Dopamine | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 7.14 | 7.14 | 7.14 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.24 | 6.24 | 6.24 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.68 | 5.68 | 5.68 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.0 | 8.0 | 8.0 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.52 | 5.54 | 5.57 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.52 | 5.52 | 5.52 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 7.98 | 7.98 | 7.98 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Rat | Dopamine | A | pIC50 | 7.71 | 7.71 | 7.71 | ChEMBL |
D1 | DRD1 | Rat | Dopamine | A | pEC50 | 7.6 | 7.6 | 7.6 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 5.62 | 5.62 | 5.62 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pEC50 | 9.0 | 9.0 | 9.0 | ChEMBL |