CHEMBL3799626
SMILES | CN(CCCCNC(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1 |
InChIKey | OJVDNCHTCHUSCE-HSZRJFAPSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 466.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.96 | 6.93 | 7.9 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.43 | 6.84 | 8.26 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 6.9 | 7.41 | 7.92 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.96 | 6.97 | 6.99 | ChEMBL |