| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2009 | 23 | Yes |
Popular Name: 1-[2-Cycloheptyloxy-2-(2,6-dichloro-phenyl)-vinyl]-1H-[1,2,4]triazole 1-[2-Cycloheptyloxy-2-(2,6-dichl…
Find On: PubMed — Wikipedia — Google
CAS Number: 246852-46-0
| 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) | 4.62 | 13.6 | -8.73 | 0 | 4 | 0 | 40 | 352.265 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM2-2-E | Metabotropic Glutamate Receptor 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 500 | 0.38 | Binding ≤ 10μM |
| GRM2-2-E | Metabotropic Glutamate Receptor 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 110 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM2_RAT | P31421 | Metabotropic Glutamate Receptor 2, Rat | 110 | 0.42 | Binding ≤ 1μM |
| GRM2_RAT | P31421 | Metabotropic Glutamate Receptor 2, Rat | 110 | 0.42 | Binding ≤ 10μM |
| GRM2_HUMAN | Q14416 | Metabotropic Glutamate Receptor 2, Human | 110 | 0.42 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class C/3 (Metabotropic glutamate/pheromone receptors) | |
| G alpha (i) signalling events |
No pre-computed analogs available. Try a structural similarity search.