| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 39 | No |
Popular Name: 4-[4-acetyl-3-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentoxy]-2-propyl-phenoxy]butanoic 4-[4-acetyl-3-[5-(4-acetyl-3-hyd…
| 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) | 6.47 | 16.18 | -58.22 | 1 | 8 | -1 | 122 | 541.661 | 19 | ↓ |
| Mid Mid (pH 6-8) | 6.47 | 17.04 | -110.91 | 0 | 8 | -2 | 125 | 540.653 | 19 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4507498; US4782176 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CLTR1-1-E | Cysteinyl Leukotriene Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1000 | 0.22 | Functional ≤ 10μM |
| CLTR2-1-E | Cysteinyl Leukotriene Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1000 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CLTR1_HUMAN | Q9Y271 | Cysteinyl Leukotriene Receptor 1, Human | 1000 | 0.22 | Functional ≤ 10μM |
| CLTR2_HUMAN | Q9NS75 | Cysteinyl Leukotriene Receptor 2, Human | 1000 | 0.22 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Leukotriene receptors |
