ecopipam
SMILES | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O |
InChIKey | DMJWENQHWZZWDF-PKOBYXMFSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 0 |
Molecular weight (Da) | 313.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
D5 | DRD5 | Human | Dopamine | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
D5 | DRD5 | Human | Dopamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.72 | 8.87 | 9.05 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.91 | 5.98 | 6.01 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.26 | 5.26 | 5.26 | ChEMBL |
D1 | DRD1 | Rat | Dopamine | A | pKi | 8.72 | 8.72 | 8.72 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Human | Dopamine | A | pIC50 | 8.82 | 8.82 | 8.82 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |