| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 33 | Yes |
2-(3-((((4-(1,1-dimethylethyl)phenyl)methyl)(pyridin-3-ylsulfonyl)amino)methyl)phenoxy)acetic acid
2-[3-[[pyridin-3-ylsulfonyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenoxy]acetic Acid
223490-49-1; D09614; Evatanepag sodium (USAN)
Acetic acid, 2-(3-((((4-(1,1-dimethylethyl)phenyl)methyl)(3-pyridinylsulfonyl)amino)methyl)phenoxy)-
| 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) | 3.96 | 11.38 | -61.45 | 0 | 7 | -1 | 100 | 467.567 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PE2R2-1-E | Prostanoid EP2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 50 | 0.31 | Binding ≤ 10μM |
| PE2R2-1-E | Prostanoid EP2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PE2R2_RAT | Q62928 | Prostanoid EP2 Receptor, Rat | 50 | 0.31 | Binding ≤ 1μM |
| PE2R2_RAT | Q62928 | Prostanoid EP2 Receptor, Rat | 50 | 0.31 | Binding ≤ 10μM |
| PE2R2_RAT | Q62928 | Prostanoid EP2 Receptor, Rat | 0.3 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Prostanoid ligand receptors |
No pre-computed analogs available. Try a structural similarity search.