CHEMBL4060403
SMILES | O=Cc1cnn2ccc(NC(=O)CCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12 |
InChIKey | PMBZPLQKUNCRDH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 459.1 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.68 | 6.68 | 6.68 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.77 | 8.77 | 8.77 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 9.39 | 9.46 | 9.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 7.43 | 7.43 | 7.43 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 7.89 | 7.89 | 7.89 | ChEMBL |