CHEMBL3798179
SMILES | CN(CCCCNC(=O)c1cc2ccccc2[nH]1)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1 |
InChIKey | XRUUSJMEKAKGQU-GOSISDBHSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 417.2 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.47 | 6.79 | 7.11 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.37 | 6.8 | 8.24 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 7.03 | 7.16 | 7.28 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.81 | 7.96 | 9.52 | ChEMBL |