Compound Detail
CHEMBL2088641
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Basic Information
| ChEMBL ID | CHEMBL2088641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEFVLBILODMYHT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
3.68
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.1 | 4.1 | 79960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 79960.0 | nM | 4.1 | Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1)) hemagglutininin-mediated ... | 23059548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31158744 | 10.1016/j.ejmech.2019.05.026 | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| 23059548 | 10.1016/j.ejmech.2012.08.041 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine