Compound Detail
CHEMBL82701
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
Basic Information
| ChEMBL ID | CHEMBL82701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOQKQQKRKFQPGK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
4.12
ALogP
7
HBA
0
HBD
63.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus CHEMBL613750 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Enterovirus CHEMBL613749 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus | IC50 | = | 530.0 | nM | 6.28 | Inhibitory concentration to prevent formation of Coxsackievirus B3 (CVB3) plaque... | 15109643 |
| Enterovirus | IC50 | = | 4600.0 | nM | 5.34 | Inhibitory concentration to prevent formation of Enterovirus (EV 71) plaques | 15109643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15109643 | 10.1016/j.bmcl.2004.02.092 | Enterovirus | 1 |
| 15109643 | 10.1016/j.bmcl.2004.02.092 | Coxsackievirus | 1 |
| 15109643 | 10.1016/j.bmcl.2004.02.092 | Rhabdomyosarcoma cell | 1 |
Data from ChEMBL 36 via Core Engine