sumanirole
SMILES | CN[C@@H]1Cc2cccc3c2n(C1)c(=O)[nH]3 |
InChIKey | RKZSNTNMEFVBDT-MRVPVSSYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 1 |
Molecular weight (Da) | 203.1 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.2 | 5.77 | 6.26 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.14 | 7.14 | 7.14 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 4.79 | 6.64 | 8.05 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 6.17 | 6.45 | 6.73 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.26 | 7.09 | 8.34 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pEC50 | 7.46 | 7.71 | 7.97 | ChEMBL |