DS-8500a
SMILES | CC[C@H](c1onc(n1)c1ccc(c(c1)F)C(=O)N[C@@H](CO)C)Oc1ccc(cc1)C(=O)C1CC1 |
InChIKey | LRXRIKVDAVVQCP-SPLOXXLWSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 467.2 |
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 |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.31 | 5.31 | 5.31 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |