SKF-83959
| SMILES | CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O |
| InChIKey | JXMYTVOBSFOHAF-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 1 |
| Molecular weight (Da) | 317.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.71 | 8.86 | 8.93 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.7 | 4.7 | 4.7 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 6.5 | 6.5 | 6.5 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pEC50 | 9.7 | 9.7 | 9.7 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.5 | 4.55 | 4.6 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pEC50 | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |