Compound Detail
CHEMBL3594192
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Basic Information
| ChEMBL ID | CHEMBL3594192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUGXCAHSFQQFOX-XROYCOCOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
206.2
MW (Da)
1.64
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.52 | 5.355 | 3000.0 | 2 |
| Coxsackievirus B3 CHEMBL613554 | IC50 | 4.72 | 4.72 | 19200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3000.0 | nM | 5.52 | Antiinflammatory activity in C57BL6/J mouse BV2 cells assessed as inhibition of ... | 26110443 |
| NON-PROTEIN TARGET | IC50 | = | 6400.0 | nM | 5.19 | Antiviral activity against Influenza A virus (A/FM/1/47(H1N1)) infected in MDCK ... | 26110443 |
| Coxsackievirus B3 | IC50 | = | 19200.0 | nM | 4.72 | Antiviral activity against Coxsackievirus B3 infected in African green monkey Ve... | 26110443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26110443 | 10.1021/np500951s | NON-PROTEIN TARGET | 2 |
| 26110443 | 10.1021/np500951s | Unchecked | 2 |
| 26110443 | 10.1021/np500951s | Coxsackievirus B3 | 1 |
| 26110443 | 10.1021/np500951s | Vero | 1 |
| 26110443 | 10.1021/np500951s | MDCK | 1 |
| 26110443 | 10.1021/np500951s | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine