Compound Detail
CHEMBL63282
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Basic Information
| ChEMBL ID | CHEMBL63282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOXAXVNOMXXLCJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
242.7
MW (Da)
0.63
ALogP
6
HBA
2
HBD
86.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 820.0 | nM | 6.09 | Inhibition against human neoplastic cell line(KB cells) | 2846837 |
| Human betaherpesvirus 5 | IC50 | = | 16000.0 | nM | 4.8 | Inhibitory concentration against human cytomegalovirus (HCMV) in plaque reductio... | 2846837 |
| Human alphaherpesvirus 1 | IC50 | = | 17000.0 | nM | 4.77 | Inhibitory concentration against HCMV in plaque reduction assay | 2846837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2846837 | 10.1021/jm00119a006 | ADMET | 3 |
| 2846837 | 10.1021/jm00119a006 | Human betaherpesvirus 5 | 1 |
| 2846837 | 10.1021/jm00119a006 | Human alphaherpesvirus 1 | 1 |
| 2846837 | 10.1021/jm00119a006 | HFF | 1 |
Data from ChEMBL 36 via Core Engine