Compound Detail
CHEMBL402559
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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@H]1CCNC1=O)C(=O)c1nccs1
Basic Information
| ChEMBL ID | CHEMBL402559 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SZXWJNUPSXMCBV-WKAQUBQDSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
633.8
MW (Da)
3.41
ALogP
8
HBA
4
HBD
155.6
PSA (Ų)
0.19
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.1
Ki 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.16 | 6.16 | 700.0 | 1 |
| rhinovirus B14 CHEMBL613759 | EC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 700.0 | nM | 6.16 | Inhibition of human rhinovirus 14 3C protease | 18053726 |
| rhinovirus B14 | EC50 | = | 7900.0 | nM | 5.1 | Antiviral activity against human rhinovirus 14 | 18053726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18053726 | 10.1016/j.bmc.2007.11.015 | Unchecked | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | rhinovirus B14 | 1 |
Data from ChEMBL 36 via Core Engine