CHEMBL203471
SMILES | COc1cc2c(cc1OC)N(CCCCN1CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC1)C(=O)CCC2=O |
InChIKey | KTJXBGFKGUUNHP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 8 |
Molecular weight (Da) | 577.3 |
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 | Human | Dopamine | A | pKi | 8.35 | 8.35 | 8.35 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |