biphenylindanone A
SMILES | Cc1c(OCc2cccc(c2)c2ccc(cc2)C(=O)O)cc2c(c1C)C(=O)C(C2)C1CCCC1 |
InChIKey | KMKBEESNZAPKMP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 454.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | mGlu2 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pKi | 7.22 | 7.22 | 7.22 | ChEMBL |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pKd | 6.72 | 6.72 | 6.72 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pEC50 | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pEC50 | 7.03 | 7.29 | 7.56 | ChEMBL |
mGlu2 | GRM2 | Rat | Metabotropic glutamate | C | pEC50 | 6.36 | 6.4 | 6.42 | ChEMBL |