Compound Detail
CHEMBL95798
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Basic Information
| ChEMBL ID | CHEMBL95798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADKJBFJUDQLWBR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.8
MW (Da)
2.72
ALogP
5
HBA
0
HBD
77.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus A protease CHEMBL2857 | IC50 | 5.57 | 5.305 | 2680.0 | 2 |
| MRC5 CHEMBL614181 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus A protease | IC50 | = | 2680.0 | nM | 5.57 | Inhibitory activity against HCMV protease by SPA assay | 10522707 |
| Human rhinovirus A protease | IC50 | = | 9100.0 | nM | 5.04 | Inhibitory activity against HCMV protease by HPLC assay | 10522707 |
| MRC5 | IC50 | = | 13000.0 | nM | 4.89 | Inhibitory activity against HCMV in a plaque assay(strain in MRC-5 cells) | 10522707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10522707 | 10.1016/s0960-894x(99)00489-8 | Human rhinovirus A protease | 2 |
| 10522707 | 10.1016/s0960-894x(99)00489-8 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine