Compound Detail
CHEMBL242436
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
CC(=O)Oc1cc2c(cc1C(C)C)C=C[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C
Basic Information
| ChEMBL ID | CHEMBL242436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INFKGIQNEZSZMS-WPFOTENUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
5.39
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV CHEMBL4303836 | EC50 | 5.8 | 5.8 | 1570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV | EC50 | = | 1570.0 | nM | 5.8 | Antiviral activity against SARS coronavirus in Vero E6 cells assessed as inhibit... | 17663539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17663539 | 10.1021/jm070295s | SARS-CoV | 5 |
| 17663539 | 10.1021/jm070295s | Vero | 1 |
| 17663539 | 10.1021/jm070295s | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine