| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 30 | Yes |
Popular Name: 2-[5-[3-chloro-4-(2-furyl)phenyl]-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonyl-pyridine 2-[5-[3-chloro-4-(2-furyl)phenyl…
| 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) | 4.66 | 9.2 | -17.65 | 0 | 6 | 0 | 78 | 449.866 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8HZR1-1-E | Cyclooxygenase-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5500 | 0.25 | Binding ≤ 10μM |
| Q8SPQ9-2-E | Cyclooxygenase-2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 10 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8SPQ9_CANFA | Q8SPQ9 | Cyclooxygenase-2, Canine | 10 | 0.37 | Binding ≤ 1μM |
| Q8HZR1_CANFA | Q8HZR1 | Cyclooxygenase-1, Canine | 5500 | 0.25 | Binding ≤ 10μM |
| Q8SPQ9_CANFA | Q8SPQ9 | Cyclooxygenase-2, Canine | 10 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nicotinamide salvaging | |
| Synthesis of 15-eicosatetraenoic acid derivatives | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
