Compound Detail
CHEMBL290485
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)Cn1cccc(NC(=O)OCc2ccccc2)c1=O
Basic Information
| ChEMBL ID | CHEMBL290485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUPCOYVTXNJINS-YLZCUGDYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
1.47
ALogP
8
HBA
3
HBD
158.8
PSA (Ų)
0.30
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus sp. CHEMBL612470 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus sp. | IC50 | = | 10000.0 | nM | 5.0 | Antiviral activity against Human rhinovirus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11931615 | 10.1021/jm010469k | Human rhinovirus A protease | 3 |
| 11858991 | 10.1016/s0960-894x(02)00008-2 | HeLa | 2 |
| 11858991 | 10.1016/s0960-894x(02)00008-2 | Human rhinovirus A protease | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human rhinovirus sp. | 1 |
Data from ChEMBL 36 via Core Engine