Compound Detail
CHEMBL318067
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Basic Information
| ChEMBL ID | CHEMBL318067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHCTVFIGDKTSIG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.8
MW (Da)
3.51
ALogP
5
HBA
0
HBD
77.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus A protease CHEMBL2857 | IC50 | 6.16 | 6.15 | 700.0 | 2 |
| Neutrophil elastase CHEMBL248 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus A protease | IC50 | = | 700.0 | nM | 6.16 | Inhibitory activity against HCMV protease by HPLC assay | 10522707 |
| Human rhinovirus A protease | IC50 | = | 730.0 | nM | 6.14 | Inhibitory activity against HCMV protease by SPA assay | 10522707 |
| Neutrophil elastase | IC50 | = | 30000.0 | nM | 4.52 | Inhibitory activity against human Elastase at 100 uM concentration | 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 | Neutrophil elastase | 1 |
Data from ChEMBL 36 via Core Engine