CHEMBL4595859
SMILES | COc1ccc(Cl)cc1C1CC1CN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1 |
InChIKey | ARLJJBVYIOLHMS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 12 |
Molecular weight (Da) | 496.2 |
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 | 6.79 | 6.79 | 6.79 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.56 | 6.56 | 6.56 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.67 | 6.67 | 6.67 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |