Compound Detail
CHEMBL2093924
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Basic Information
| ChEMBL ID | CHEMBL2093924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGGGUDWBQPJEAQ-AAVRWANBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
376.2
MW (Da)
1.78
ALogP
7
HBA
4
HBD
99.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.5 | 4.36 | 32000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 32000.0 | nM | 4.5 | Compound was evaluated for the Antiviral activity against the AD169 strain of HC... | 9575044 |
| Human betaherpesvirus 5 | IC50 | = | 60000.0 | nM | 4.22 | Antiviral activity assayed by ability to inhibit Towne strain of HCMV virus | 9575044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9575044 | 10.1021/jm970545c | Human betaherpesvirus 5 | 3 |
| 9575044 | 10.1021/jm970545c | Human alphaherpesvirus 1 | 1 |
| 9575044 | 10.1021/jm970545c | Homo sapiens | 1 |
| 9575044 | 10.1021/jm970545c | KB | 1 |
Data from ChEMBL 36 via Core Engine