CHEMBL419680
SMILES | C=CCNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O |
InChIKey | NOOMHYKWRAKBNS-ZVAWYAOSSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 5 |
Molecular weight (Da) | 317.2 |
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 |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.81 | 5.81 | 5.81 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Rat | Dopamine | A | pEC50 | 7.52 | 7.52 | 7.52 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pEC50 | 7.33 | 7.33 | 7.33 | ChEMBL |