Compound Detail
CHEMBL321046
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Basic Information
| ChEMBL ID | CHEMBL321046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARILGAKPNRJOIM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
320.7
MW (Da)
2.33
ALogP
5
HBA
0
HBD
77.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus A protease CHEMBL2857 | IC50 | 5.84 | 5.58 | 1450.0 | 2 |
| MRC5 CHEMBL614181 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus A protease | IC50 | = | 1450.0 | nM | 5.84 | Inhibitory activity against HCMV protease by SPA assay | 10522707 |
| Human rhinovirus A protease | IC50 | = | 4800.0 | nM | 5.32 | Inhibitory activity against HCMV protease by HPLC assay | 10522707 |
| MRC5 | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against HCMV protease in a plaque assay (strain AD169 in MRC... | 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