Compound Detail
CHEMBL11733
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Basic Information
| ChEMBL ID | CHEMBL11733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTAIGVDMVHCGJY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
3.37
ALogP
6
HBA
0
HBD
64.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 880.0 | nM | 6.06 | Antiviral activity against HCMV in MRC5 cells by plaque reduction assay | 17239594 |
| MRC5 | IC50 | = | 16000.0 | nM | 4.8 | Cytotoxicity against MRC5 cells | 17239594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3286870 | 10.1021/jm00401a006 | Mus musculus | 3 |
| 3286870 | 10.1021/jm00401a006 | Plasmodium falciparum | 2 |
| 17239594 | 10.1016/j.bmcl.2006.12.085 | MRC5 | 1 |
| 17239594 | 10.1016/j.bmcl.2006.12.085 | Human betaherpesvirus 5 | 1 |
| 17239594 | 10.1016/j.bmcl.2006.12.085 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine