Compound Detail
CHEMBL100106
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Basic Information
| ChEMBL ID | CHEMBL100106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFJQOVLFWIGJKY-ZIOPAAQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
4.08
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | IC50 | = | 630.0 | nM | 6.2 | Concentration which caused 50% loss of the monolayer present around the viral pl... | 10956199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956199 | 10.1021/jm000038m | Human alphaherpesvirus 1 | 5 |
Data from ChEMBL 36 via Core Engine