CHEMBL39230
SMILES | CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 |
InChIKey | REHAKLRYABHSQJ-KBXCAEBGSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 2 |
Molecular weight (Da) | 315.1 |
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 |
D1 | DRD1 | Rat | Dopamine | A | pKi | 6.19 | 6.97 | 7.75 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.27 | 5.56 | 5.85 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.52 | 5.52 | 5.52 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.4 | 5.4 | 5.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Goldfish | Dopamine | A | pEC50 | 5.57 | 6.43 | 7.28 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pEC50 | 5.77 | 5.77 | 5.77 | ChEMBL |