Compound Detail
CHEMBL2092771
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Basic Information
| ChEMBL ID | CHEMBL2092771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCQYYIHYQMVWLT-AADLVWAJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.1
MW (Da)
-1.49
ALogP
7
HBA
4
HBD
124.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Human gammaherpesvirus 4 CHEMBL613124 | EC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 1.0 | nM | 9.0 | Effective concentration to show 50% of activity was measured on varicella zoster... | 10891113 |
| Human gammaherpesvirus 4 | EC50 | = | 47000.0 | nM | 4.33 | Effective concentration to show 50% of activity was measured on Epstein Barr vir... | 10891113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10891113 | 10.1021/jm990543n | CCRF-CEM | 3 |
| 10891113 | 10.1021/jm990543n | Human alphaherpesvirus 3 | 2 |
| 10891113 | 10.1021/jm990543n | Human gammaherpesvirus 4 | 2 |
| 10891113 | 10.1021/jm990543n | ADMET | 2 |
Data from ChEMBL 36 via Core Engine