Compound Detail
CHEMBL358951
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Basic Information
| ChEMBL ID | CHEMBL358951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAKKOTVGIIAFND-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
1.53
ALogP
5
HBA
1
HBD
98.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus A protease CHEMBL2857 | Ki | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus A protease | Ki | = | 25.0 | nM | 7.6 | Inhibition of human rhinovirus 3C protease | 8978838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978838 | 10.1021/jm960603e | Human rhinovirus A protease | 1 |
Data from ChEMBL 36 via Core Engine