Compound Detail
CHEMBL338166
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O=C([O-])CCSC(SCCC(=O)[O-])c1cccc(NC(=O)c2ccc3ccccc3n2)c1.[Li+].[Li+]
Basic Information
| ChEMBL ID | CHEMBL338166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBHPXPYMRWRFFF-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1204572 |
| Active Moiety | CHEMBL1204572 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
4.90
ALogP
6
HBA
3
HBD
116.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | IC50 | = | 440.0 | nM | 6.36 | In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes | 1331447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1331447 | 10.1021/jm00099a011 | Cysteinyl leukotriene receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine