Compound Detail
CHEMBL74806
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Basic Information
| ChEMBL ID | CHEMBL74806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXYMHFRDMNPYMI-XJKSGUPXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
2.97
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rhinovirus A1B CHEMBL613713 | IC50 | 5.45 | 5.45 | 3590.0 | 1 |
| Leukotriene B4 receptor CHEMBL2095160 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rhinovirus A1B | IC50 | = | 3590.0 | nM | 5.45 | Antiviral activity against HRV 1B infected in human HeLa Ohio cells assessed as ... | 19398344 |
| Leukotriene B4 receptor | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of leukotriene B4 (LTB4) binding to guinea pig spleen | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19398344 | 10.1016/j.bmc.2009.03.051 | ADMET | 3 |
| - | 10.1016/S0960-894X(97)00414-9 | Leukotriene B4 receptor | 2 |
| 19398344 | 10.1016/j.bmc.2009.03.051 | rhinovirus A1B | 2 |
| 19398344 | 10.1016/j.bmc.2009.03.051 | rhinovirus B14 | 1 |
Data from ChEMBL 36 via Core Engine