BULBOCAPNINE
SMILES | CN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3 |
InChIKey | LODGIKWNLDQZBM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 1 |
Molecular weight (Da) | 325.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.82 | 5.82 | 5.82 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.28 | 5.28 | 5.28 | PDSP Ki database |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 6.1 | 6.1 | 6.1 | PDSP Ki database |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 6.03 | 6.03 | 6.03 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |