CHEMBL3797209
SMILES | CCCN(CCC)[C@@H]1Cc2cccc3c2n(c(=O)n3CCC)C1 |
InChIKey | FOWVILAPRCJMGP-MRXNPFEDSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 315.2 |
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 | 8.22 | 8.35 | 8.47 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.84 | 7.71 | 8.59 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 7.29 | 7.86 | 8.43 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 7.47 | 8.14 | 9.05 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.03 | 6.61 | 7.0 | ChEMBL |