CHEMBL3622099
SMILES | CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 |
InChIKey | XZUUIMQQOCYISH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 468.2 |
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 |
D5 | DRD5 | Human | Dopamine | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.24 | 7.27 | 7.29 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.05 | 7.05 | 7.05 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 9.14 | 9.14 | 9.14 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |