| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 19 | Yes |
Popular Name: 3-(3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl)benzonitrile 3-(3-(Pyridin-2-yl)-1,2,4-oxadia…
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CAS Number: 327056-18-8
| 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) | 2.31 | 0.63 | -12.33 | 0 | 5 | 0 | 75 | 248.245 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM5-2-E | Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 490 | 0.46 | Binding ≤ 10μM |
| GRM5-3-E | Metabotropic Glutamate Receptor 5 (cluster #3 Of 5), Eukaryotic | Eukaryotes | 100 | 0.52 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM5_RAT | P31424 | Metabotropic Glutamate Receptor 5, Rat | 490 | 0.46 | Binding ≤ 1μM |
| GRM5_RAT | P31424 | Metabotropic Glutamate Receptor 5, Rat | 490 | 0.46 | Binding ≤ 10μM |
| GRM5_HUMAN | P41594 | Metabotropic Glutamate Receptor 5, Human | 100 | 0.52 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class C/3 (Metabotropic glutamate/pheromone receptors) | |
| G alpha (q) signalling events |
No pre-computed analogs available. Try a structural similarity search.