| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2008 | 28 | Yes |
Popular Name: [3-(2-phenylethynyl)phenyl]-[4-(2-pyridyl)piperazin-1-yl]methanone [3-(2-phenylethynyl)phenyl]-[4-(…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.00 | 11.95 | -11.79 | 0 | 4 | 0 | 36 | 367.452 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM5-3-E | Metabotropic Glutamate Receptor 5 (cluster #3 Of 5), Eukaryotic | Eukaryotes | 139 | 0.34 | Binding ≤ 10μM |
| GRM5-2-E | Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 926 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM5_RAT | P31424 | Metabotropic Glutamate Receptor 5, Rat | 139 | 0.34 | Binding ≤ 1μM |
| GRM5_RAT | P31424 | Metabotropic Glutamate Receptor 5, Rat | 139 | 0.34 | Binding ≤ 10μM |
| GRM5_RAT | P31424 | Metabotropic Glutamate Receptor 5, Rat | 926 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class C/3 (Metabotropic glutamate/pheromone receptors) | |
| G alpha (q) signalling events |
