CHEMBL4105030
SMILES | COc1ccccc1N1CCN(CCCCOc2ccn3nc(/C=N/O)cc3c2)CC1 |
InChIKey | WUKHFCSRRUQMMT-HKOYGPOVSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 423.2 |
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 | 8.11 | 8.11 | 8.11 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.36 | 6.36 | 6.36 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.49 | 8.49 | 8.49 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.48 | 8.6 | 8.72 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 7.16 | 7.16 | 7.16 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 5.96 | 6.18 | 6.4 | ChEMBL |