CHEMBL301559
SMILES | CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1 |
InChIKey | BLYMJBIZMIGWFK-OAHLLOKOSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 247.2 |
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 |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKd | 5.96 | 6.22 | 6.52 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.49 | 5.49 | 5.49 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 4.07 | 4.07 | 4.07 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.05 | 8.76 | 9.24 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.7 | 7.47 | 9.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.3 | 5.64 | 6.55 | ChEMBL |