Compound Detail
CHEMBL173217
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Basic Information
| ChEMBL ID | CHEMBL173217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIEQEUSTJLJAMM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.16
ALogP
6
HBA
2
HBD
91.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor CHEMBL2094254 | IC50 | 6.5 | 6.5 | 316.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor | IC50 | = | 316.23 | nM | 6.5 | Inhibition of LTD4-induced contraction in guinea pig ileum | 3033245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3033245 | 10.1021/jm00388a028 | Cysteinyl leukotriene receptor | 1 |
Data from ChEMBL 36 via Core Engine