CHEMBL4099711
SMILES | COc1ccccc1N1CCN(CCCCOc2ccn3nc(CO)cc3c2)CC1 |
InChIKey | BKIDSLXJSKMVCJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 410.2 |
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 | 7.68 | 7.68 | 7.68 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.04 | 6.04 | 6.04 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.82 | 7.82 | 7.82 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.22 | 8.23 | 8.24 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 7.57 | 7.57 | 7.57 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.02 | 6.58 | 7.14 | ChEMBL |