compound 15b [PMID: 31811124]
SMILES | OC(=O)CCCCN1CC(Oc2c1cccc2CC(=O)c1ccc(cc1)OCCCCCCc1ccccc1)C(=O)O |
InChIKey | HEZMXOWAEONYPI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 17 |
Molecular weight (Da) | 573.3 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.19 | 6.19 | 6.19 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.32 | 8.32 | 8.32 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |