CHEMBL2152747
SMILES | CCCN(CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)[C@H]1CCc2nc(N)sc2C1 |
InChIKey | CPWJJWMVFFZCGJ-IBGZPJMESA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 466.3 |
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 |
D3 | DRD3 | Rat | Dopamine | A | pKi | 8.73 | 8.73 | 8.73 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.97 | 5.97 | 5.97 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 9.59 | 9.59 | 9.59 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.94 | 6.94 | 6.94 | ChEMBL |