Compound Detail
CHEMBL68801
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CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL68801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIDGYARYZOZUDK-SETLSDDGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
588.8
MW (Da)
3.34
ALogP
7
HBA
3
HBD
147.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus sp. CHEMBL612470 | EC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus sp. | EC50 | = | 190.0 | nM | 6.72 | In vitro antiviral activity against HRV serotype-14 | 10465543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10465543 | 10.1016/s0960-894x(99)00368-6 | Human rhinovirus A protease | 1 |
| 10465543 | 10.1016/s0960-894x(99)00368-6 | Human rhinovirus sp. | 1 |
Data from ChEMBL 36 via Core Engine