Compound Detail
CHEMBL609212
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 | CHEMBL609212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XILAHFMFYVUYJO-ZHZAVPAVSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.3
MW (Da)
1.68
ALogP
7
HBA
3
HBD
87.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.6 | 4.3 | 25000.0 | 2 |
| KB CHEMBL398 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 25000.0 | nM | 4.6 | Activity against human cytomegalovirus (HCMV) using plaque reduction assay | 8071942 |
| KB | IC50 | = | 60000.0 | nM | 4.22 | The inhibition of KB cell growth was determined | 8071942 |
| Human alphaherpesvirus 1 | IC50 | = | 100000.0 | nM | 4.0 | Tested for anti-viral activity against Herpes simplex virus type-1 using ELISA. | 8071942 |
| Human betaherpesvirus 5 | IC50 | = | 100000.0 | nM | 4.0 | Tested for the visual cytotoxicity on HFF cells at the time of human cytomegalov... | 8071942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8071942 | 10.1021/jm00044a015 | Human betaherpesvirus 5 | 2 |
| 8071942 | 10.1021/jm00044a015 | Human alphaherpesvirus 1 | 1 |
| 8071942 | 10.1021/jm00044a015 | KB | 1 |
Data from ChEMBL 36 via Core Engine