CHEMBL4102628
SMILES | O=C1CCc2ccc(OCCCCN3CCCN(c4ccc(O)c5[nH]c(=O)ccc45)CC3)cc2N1 |
InChIKey | RWMHVMBWEZTTSB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 476.2 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.12 | 7.12 | 7.12 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 4.96 | 4.96 | 4.96 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.72 | 8.72 | 8.72 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.47 | 5.47 | 5.47 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.8 | 8.95 | 9.09 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.7 | 6.86 | 7.17 | ChEMBL |