Compound Detail
CHEMBL3947563
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Basic Information
| ChEMBL ID | CHEMBL3947563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCMOTTHCYXLRRP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.3
MW (Da)
3.47
ALogP
8
HBA
0
HBD
99.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.0
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 10000.0 | nM | 5.0 | Antiviral activity against Influenza A virus A/PR/8/34 (H1N1) infected in MDCK c... | 27046062 |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of Influenza A virus A/PR/8/34(H1N1) 6His-tagged PA (239 to 716 resid... | 27046062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27046062 | 10.1021/acs.jmedchem.5b01474 | NON-PROTEIN TARGET | 2 |
| 27046062 | 10.1021/acs.jmedchem.5b01474 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine