| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 35 | No |
Popular Name: 2-[3-[2-(1,1-diphenylethylsulfonyl)ethyl]-2-(hydroxymethyl)benzofuran-7-yl]oxyacetic 2-[3-[2-(1,1-diphenylethylsulfon…
| 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) | 4.22 | 8.97 | -63.2 | 1 | 7 | -1 | 117 | 493.557 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PI2R-1-E | Prostanoid IP Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.23 | Binding ≤ 10μM |
| TA2R-1-E | Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4 | 0.34 | Binding ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 310 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 4.3 | 0.33 | Binding ≤ 1μM |
| PI2R_HUMAN | P43119 | Prostanoid IP Receptor, Human | 1900 | 0.23 | Binding ≤ 10μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 4.3 | 0.33 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 3000 | 0.22 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Prostacyclin signalling through prostacyclin receptor | |
| Prostanoid ligand receptors | |
| Thromboxane signalling through TP receptor |
