Compound Detail
CHEMBL611263
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Basic Information
| ChEMBL ID | CHEMBL611263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKDAJRLJLOVZQC-ZHZAVPAVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
391.3
MW (Da)
2.23
ALogP
7
HBA
3
HBD
87.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
| KB CHEMBL398 | IC50 | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 24000.0 | nM | 4.62 | Tested for the visual cytotoxicity on HFF cells at the time of human cytomegalov... | 8071942 |
| KB | IC50 | = | 68000.0 | nM | 4.17 | The inhibition of KB cell growth was determined | 8071942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8071942 | 10.1021/jm00044a015 | Human betaherpesvirus 5 | 2 |
| 8071942 | 10.1021/jm00044a015 | Human alphaherpesvirus 1 | 1 |
| 8071942 | 10.1021/jm00044a015 | KB | 1 |
Data from ChEMBL 36 via Core Engine