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 |
Database connections
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.4 | 6.4 | 6.4 | PDSP Ki database |
D5 | DRD5 | Human | Dopamine | A | pKi | 8.12 | 8.12 | 8.12 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 6.58 | 6.58 | 6.58 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 8.93 | 8.93 | 8.93 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.04 | 6.04 | 6.04 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Human | Dopamine | A | pEC50 | 9.7 | 9.7 | 9.7 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pEC50 | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |