Compound Detail
CHEMBL528741
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Basic Information
| ChEMBL ID | CHEMBL528741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOPKOOPFDUKJCB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
0.55
ALogP
4
HBA
2
HBD
66.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Human alphaherpesvirus 2 CHEMBL370 | IC50 | 5.56 | 5.56 | 2740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | IC50 | = | 1300.0 | nM | 5.89 | Antiviral activity against HSV1 by plaque reduction assay | 21356589 |
| Human alphaherpesvirus 2 | IC50 | = | 2740.0 | nM | 5.56 | Antiviral activity against HSV2 by plaque reduction assay | 21356589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 21356589 | 10.1016/j.bmcl.2011.02.037 | Human alphaherpesvirus 1 | 1 |
| 21356589 | 10.1016/j.bmcl.2011.02.037 | Human alphaherpesvirus 2 | 1 |
| 21356589 | 10.1016/j.bmcl.2011.02.037 | RD | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
Data from ChEMBL 36 via Core Engine