Compound Detail
CHEMBL104516
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Basic Information
| ChEMBL ID | CHEMBL104516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBEHHGYUJHPHCI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
559.4
MW (Da)
5.19
ALogP
10
HBA
1
HBD
114.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | IC50 | = | 90.0 | nM | 7.05 | Concentration required to inhibit 50% of cytoplasmic HBV-DNA synthesis | 12086499 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12086499 | 10.1021/jm020036x | Human alphaherpesvirus 1 | 1 |
| 12086499 | 10.1021/jm020036x | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine