Compound Detail
CHEMBL20260
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CCOC(=O)/C=C/[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL20260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDUSHRVVRRRFJC-WMGNXNFISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
613.7
MW (Da)
2.12
ALogP
8
HBA
4
HBD
168.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus A protease CHEMBL2857 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus A protease | EC50 | = | 20.0 | nM | 7.7 | Increased percentage of formazan production in drug treated virus infected cells... | 10197965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10197965 | 10.1021/jm9805384 | Human rhinovirus A protease | 2 |
| 10197965 | 10.1021/jm9805384 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine