| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 2nd, 2009 | 30 | Yes |
Popular Name: 2-[2-[[(3S)-4-(benzenesulfonyl)-3-ethyl-piperazin-1-yl]methyl]-4-chloro-phenoxy]acetic 2-[2-[[(3S)-4-(benzenesulfonyl)-…
| 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) | 3.31 | 8.23 | -47.86 | 0 | 7 | -1 | 90 | 451.952 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.31 | 10.48 | -50.81 | 1 | 7 | 0 | 91 | 452.96 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GPR44-1-E | G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.39 | Binding ≤ 10μM |
| GPR44-1-E | G Protein-coupled Receptor 44 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 31 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GPR44_HUMAN | Q9Y5Y4 | G Protein-coupled Receptor 44, Human | 4.5 | 0.39 | Binding ≤ 1μM |
| GPR44_HUMAN | Q9Y5Y4 | G Protein-coupled Receptor 44, Human | 4.5 | 0.39 | Binding ≤ 10μM |
| GPR44_HUMAN | Q9Y5Y4 | G Protein-coupled Receptor 44, Human | 31 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Prostanoid ligand receptors |
