Compound Detail
CHEMBL59769
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CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCC(N)=O
Basic Information
| ChEMBL ID | CHEMBL59769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAXRTRUJWFEIEJ-LCXINAFSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
589.7
MW (Da)
1.74
ALogP
7
HBA
5
HBD
185.8
PSA (Ų)
0.18
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus A protease CHEMBL2857 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus A protease | IC50 | = | 600.0 | nM | 6.22 | Inhibitory activity against human rhinovirus-14 Protease 3C | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00537-9 | Human rhinovirus sp. | 1 |
| - | 10.1016/S0960-894X(96)00537-9 | HeLa | 1 |
| - | 10.1016/0960-894X(95)00345-T | Human rhinovirus A protease | 1 |
| - | 10.1016/0960-894X(95)00345-T | Nucleic Acid | 1 |
| - | 10.1016/0960-894X(95)00345-T | rhinovirus B14 | 1 |
Data from ChEMBL 36 via Core Engine