| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 36 | No |
Popular Name: PRANLUKAST PRANLUKAST
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103177-37-3 , 150821-03-7 , [103177-37-3] , [150821-03-7]
103177-37-3; Azlaire (TN); D08408; Pranlukast (INN)
150821-03-7; D02732; Onon (TN); Pranlukast hydrate (JAN)
4-Oxo-8-(4-(4-Phenylbutoxy)Benzoylamino)-2-(Tetrazol-5-yl)-4H-1-Benzopyran
| 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) | 5.32 | 9.18 | -41.96 | 3 | 9 | 1 | 125 | 482.52 | 8 | ↓ |
| Ref Reference (pH 7) | 5.32 | 9.03 | -36.32 | 3 | 9 | 1 | 125 | 482.52 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.32 | 9.8 | -16.61 | 2 | 9 | 0 | 127 | 481.512 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.32 | 11.01 | -15.15 | 2 | 9 | 0 | 127 | 481.512 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.32 | 9.79 | -39.98 | 1 | 9 | -1 | 126 | 480.504 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Indications | antiallergic, antiasthmatic | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CLTR1-1-E | Cysteinyl Leukotriene Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.35 | Binding ≤ 10μM |
| CLTR2-1-E | Cysteinyl Leukotriene Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.35 | Binding ≤ 10μM |
| CYSP-1-E | Cruzipain (cluster #1 Of 4), Eukaryotic | Eukaryotes | 7000 | 0.20 | Binding ≤ 10μM |
| CLTR1-1-E | Cysteinyl Leukotriene Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.35 | Functional ≤ 10μM |
| CLTR2-1-E | Cysteinyl Leukotriene Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 1 | 0.35 | Functional ≤ 10μM |
| Z80566-1-O | U-937 (Histiocytic Lymphoma Cells) (cluster #1 Of 2), Other | Other | 1 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CLTR1_HUMAN | Q9Y271 | Cysteinyl Leukotriene Receptor 1, Human | 0.8 | 0.35 | Binding ≤ 1μM |
| CLTR2_HUMAN | Q9NS75 | Cysteinyl Leukotriene Receptor 2, Human | 0.8 | 0.35 | Binding ≤ 1μM |
| CYSP_TRYCR | P25779 | Cruzipain, Trycr | 7000 | 0.20 | Binding ≤ 10μM |
| CLTR1_HUMAN | Q9Y271 | Cysteinyl Leukotriene Receptor 1, Human | 0.8 | 0.35 | Binding ≤ 10μM |
| CLTR2_HUMAN | Q9NS75 | Cysteinyl Leukotriene Receptor 2, Human | 0.8 | 0.35 | Binding ≤ 10μM |
| CLTR1_HUMAN | Q9Y271 | Cysteinyl Leukotriene Receptor 1, Human | 0.1 | 0.39 | Functional ≤ 10μM |
| CLTR2_HUMAN | Q9NS75 | Cysteinyl Leukotriene Receptor 2, Human | 0.1 | 0.39 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 1 | 0.35 | Functional ≤ 10μM |
| Z80566 | Z80566 | U-937 (Histiocytic Lymphoma Cells) | 1 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Leukotriene receptors |
