| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 25 | Yes |
Popular Name: U-44069 U-44069
Find On: PubMed — Wikipedia — Google
CAS Numbers: 56985-32-1 , [56985-32-1]
9,11-Dideoxy-9alpha,11alpha-epoxy-methanoprostaglandin f2alpha
9,11-Dideoxy-9alpha,11alpha-epoxymethanoprostaglandin F2alpha
| 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) | 4.55 | 9.66 | -48.46 | 1 | 4 | -1 | 70 | 349.491 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TA2R-2-E | Thromboxane A2 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 37 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 16 | 0.44 | Binding ≤ 1μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 16 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| Prostanoid ligand receptors | |
| Thromboxane signalling through TP receptor |
