Compound Detail
CHEMBL97514
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
CO/N=C/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL97514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDKKPYBQVXLSDF-ICUAPUFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
579.7
MW (Da)
2.99
ALogP
7
HBA
4
HBD
161.2
PSA (Ų)
0.17
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 100000.0 | nM | 4.0 | Formazan production in HRV-14 virus infected cells | 9667970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9667970 | 10.1021/jm980068d | Human rhinovirus A protease | 2 |
| 9667970 | 10.1021/jm980068d | HeLa | 2 |
Data from ChEMBL 36 via Core Engine