Compound Detail
CHEMBL267976
FPL-55712 SODIUM SALT Enter ChEMBL ID:
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CCCc1c(OCC(O)COc2ccc3c(=O)cc(C(=O)[O-])oc3c2CCC)ccc(C(C)=O)c1O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL267976 |
| Name | FPL-55712 SODIUM SALT |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDEVPOBNLIVGFA-UHFFFAOYSA-M |
| Parent Compound | CHEMBL267475 |
| Active Moiety | CHEMBL267475 |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
498.5
MW (Da)
4.12
ALogP
8
HBA
3
HBD
143.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Ki 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Cysteinyl leukotriene receptor CHEMBL2094254 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Cysteinyl leukotriene receptor CHEMBL2094254 | Ki | 5.7 | 5.7 | 2007.0 | 1 |
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 35.0 | nM | 7.46 | Ability to prevent constrictions induced by SRS-A (slow reacting substance of an... | 6313920 |
| Cysteinyl leukotriene receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum | 3336036 |
| Cysteinyl leukotriene receptor | Ki | = | 2007.0 | nM | 5.7 | Compound is evaluated for its ability to inhibit [3H]LTD4 binding to Cysteinyl l... | 3016267 |
| Cysteinyl leukotriene receptor 1 | Ki | = | 2200.0 | nM | 5.66 | Binding constant was determined as affinity to displace [3H]LTD4 from Cysteinyl ... | 2993610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6106061 | 10.1021/jm00183a011 | Cavia porcellus | 5 |
| 3336036 | 10.1021/jm00396a013 | Cavia porcellus | 4 |
| 3336036 | 10.1021/jm00396a013 | Cysteinyl leukotriene receptor | 2 |
| 3016267 | 10.1021/jm00158a021 | Cysteinyl leukotriene receptor | 2 |
| 2993610 | 10.1021/jm00147a004 | Cysteinyl leukotriene receptor 1 | 2 |
| 2993610 | 10.1021/jm00147a004 | Cavia porcellus | 2 |
| 6313920 | 10.1021/jm00365a016 | Cavia porcellus | 1 |
| 3031291 | 10.1021/jm00387a018 | Cysteinyl leukotriene receptor | 1 |
| 3031291 | 10.1021/jm00387a018 | Cavia porcellus | 1 |
| 3806566 | 10.1021/jm00157a004 | Cavia porcellus | 1 |
| 845870 | 10.1021/jm00213a012 | Ileum | 1 |
Data from ChEMBL 36 via Core Engine