CHEMBL53294
SMILES | CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 |
InChIKey | WNNMRMNAGNMVEW-MRXNPFEDSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 325.2 |
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 | Rat | Dopamine | A | pKi | 5.19 | 5.56 | 5.75 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.09 | 8.56 | 9.77 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.09 | 8.09 | 8.09 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.99 | 8.99 | 8.99 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Rat | Dopamine | A | pIC50 | 5.48 | 5.48 | 5.48 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 7.99 | 8.49 | 8.99 | ChEMBL |