CHEMBL4597877
SMILES | CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(Cl)ccc1OC |
InChIKey | RJZDQOPJWQCJET-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 11 |
Molecular weight (Da) | 470.2 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 6.62 | 6.62 | 6.62 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.82 | 5.82 | 5.82 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.69 | 6.69 | 6.69 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |