CHEMBL162762
SMILES | C#CC1=CCC(N(CCC)CCC)CC1 |
InChIKey | IOUKEEFTYOZOKJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 1 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 205.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | D3 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 4.77 | 5.45 | 6.12 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.42 | 7.07 | 7.66 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.24 | 6.67 | 8.28 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 4.72 | 5.84 | 7.47 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.72 | 6.72 | 6.72 | PDSP Ki database |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 5.39 | 6.96 | 7.82 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 8.11 | 8.23 | 8.36 | ChEMBL |