GSK1331258
SMILES | Clc1cc(cnc1N1CCN(CC1)Cc1nc2c(n1C)cccc2)C(F)(F)F |
InChIKey | BQOUGDGGUWVLTD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 409.1 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.3 | 5.3 | 5.3 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.3 | 5.3 | 5.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pEC50 | 5.7 | 6.4 | 7.1 | ChEMBL |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pEC50 | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |