Compound Detail
CHEMBL95040
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Basic Information
| ChEMBL ID | CHEMBL95040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJNJUSRQYULUFI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
4.98
ALogP
4
HBA
1
HBD
55.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rhinovirus B5 CHEMBL612467 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 770.0 | nM | 6.11 | Antiviral activity against Human rhinovirus B3 | 31226653 |
| rhinovirus B5 | IC50 | = | 770.0 | nM | 6.11 | Antiviral activity against Human rhinovirus B5 | 31226653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7629816 | 10.1021/jm00014a029 | Human rhinovirus sp. | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Unchecked | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | rhinovirus B5 | 1 |
Data from ChEMBL 36 via Core Engine