Compound Detail
CHEMBL107873
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Basic Information
| ChEMBL ID | CHEMBL107873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFINHZVJNWFGCZ-PXLXIMEGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
388.9
MW (Da)
4.19
ALogP
6
HBA
0
HBD
59.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus CHEMBL613749 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Human rhinovirus sp. CHEMBL612470 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Echovirus CHEMBL612353 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
| Coxsackievirus CHEMBL613750 | IC50 | 6.08 | 6.08 | 825.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus | IC50 | = | 1.0 | nM | 9.0 | Antiviral activity against Enterovirus | 19112024 |
| Human rhinovirus sp. | IC50 | = | 26.0 | nM | 7.58 | Antiviral activity against Human rhinovirus | 19112024 |
| Echovirus | IC50 | = | 67.0 | nM | 7.17 | Antiviral activity against Echovirus | 19112024 |
| Coxsackievirus | IC50 | = | 825.0 | nM | 6.08 | Antiviral activity against Coxsackievirus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852746 | 10.1021/jm0202876 | KB | 3 |
| 12852746 | 10.1021/jm0202876 | rhinovirus A2 | 2 |
| 12852746 | 10.1021/jm0202876 | Human rhinovirus 1A | 1 |
| 12852746 | 10.1021/jm0202876 | MRC5 | 1 |
| 12852746 | 10.1021/jm0202876 | rhinovirus B14 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Coxsackievirus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Enterovirus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human rhinovirus sp. | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Echovirus | 1 |
Data from ChEMBL 36 via Core Engine