| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 26 | No |
112665-43-7; Bronica (TN); D01123; Seratrodast (JAN/USAN/INN)
| 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) | 4.48 | 13.09 | -48.47 | 0 | 4 | -1 | 74 | 353.438 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.48 | 11.11 | -10.07 | 1 | 4 | 0 | 71 | 354.446 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| therap | Thx-antagonist, antiasthmatic, antiinflammatory | MicroSource Spectrum |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TA2R-2-E | Thromboxane A2 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| TA2R-2-E | Thromboxane A2 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7 | 0.44 | Binding ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 350 | 0.35 | Functional ≤ 10μM |
| Z50592-5-O | Oryctolagus Cuniculus (cluster #5 Of 8), Other | Other | 100 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 7.4 | 0.44 | Binding ≤ 1μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 7.4 | 0.44 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 350 | 0.35 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 100 | 0.38 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| Prostanoid ligand receptors | |
| Thromboxane signalling through TP receptor |
