CHEMBL59713
SMILES | COc1cc(Br)cc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OC |
InChIKey | RYXXRKZWJMNUEJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 543.1 |
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 |
D3 | DRD3 | Rat | Dopamine | A | pKi | 8.68 | 8.69 | 8.7 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 7.23 | 7.23 | 7.23 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.68 | 8.68 | 8.68 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.23 | 7.23 | 7.23 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |