| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 3rd, 2006 | 33 | Yes |
Popular Name: 6-[4-[2-(4-chlorophenyl)sulfonylaminoethyl]phenyl]-6-(3-pyridyl)hex-5-enoic 6-[4-[2-(4-chlorophenyl)sulfonyl…
| 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) | 4.61 | 11.87 | -54.41 | 1 | 6 | -1 | 99 | 483.997 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 4.61 | 12.33 | -66.61 | 2 | 6 | 0 | 100 | 485.005 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TA2R-1-E | Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 380 | 0.27 | Binding ≤ 10μM |
| THAS-1-E | Thromboxane-A Synthase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 490 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 19 | 0.33 | Binding ≤ 1μM |
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 4 | 0.36 | Binding ≤ 1μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 19 | 0.33 | Binding ≤ 10μM |
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 4 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Eicosanoids | |
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| Prostanoid ligand receptors | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) | |
| Thromboxane signalling through TP receptor |
