Compound Detail
CHEMBL3401692
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Basic Information
| ChEMBL ID | CHEMBL3401692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARUCJFURQFDXML-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
5.40
ALogP
5
HBA
2
HBD
88.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL1798 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Cysteinyl leukotriene receptor 2 CHEMBL4330 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | IC50 | = | 1900.0 | nM | 5.72 | Antagonist activity at human CysLT1 receptor expressed in CHO cells assessed as ... | 25800431 |
| Cysteinyl leukotriene receptor 2 | IC50 | = | 4300.0 | nM | 5.37 | Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed ... | 25800431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25800431 | 10.1016/j.bmc.2015.03.011 | Cysteinyl leukotriene receptor 1 | 1 |
| 25800431 | 10.1016/j.bmc.2015.03.011 | Cysteinyl leukotriene receptor 2 | 1 |
| 25800431 | 10.1016/j.bmc.2015.03.011 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine