| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2005 | 30 | Yes |
Popular Name: 2-[5-(2-fluorophenyl)-2-pyridyl]vinyl-methyl-BLAHone 2-[5-(2-fluorophenyl)-2-pyridyl]…
| 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) | 5.48 | 2.98 | -11.26 | 0 | 3 | 0 | 39 | 405.513 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.48 | 3.13 | -43.79 | 1 | 3 | 1 | 40 | 406.521 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAR1-1-E | Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 22 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAR1_HUMAN | P25116 | Proteinase Activated Receptor 1, Human | 22 | 0.36 | Binding ≤ 1μM |
| PAR1_HUMAN | P25116 | Proteinase Activated Receptor 1, Human | 22 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors | |
| Thrombin signalling through proteinase activated receptors (PARs) |
