Compound Detail
CHEMBL415954
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C[C@@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@@H](O)[C@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL415954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQMSTTQHFRKDFE-AOXIIXCZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
582.6
MW (Da)
5.95
ALogP
7
HBA
2
HBD
97.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor CHEMBL2094254 | Ki | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor | Ki | = | 19.0 | nM | 7.72 | Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes | 9873435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873435 | 10.1016/s0960-894x(98)00273-x | Cysteinyl leukotriene receptor | 1 |
Data from ChEMBL 36 via Core Engine