Compound Detail
CHEMBL49561
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Basic Information
| ChEMBL ID | CHEMBL49561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRUCCLXTXHRWKN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
282.2
MW (Da)
-0.58
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human gammaherpesvirus 4 CHEMBL613124 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| ADMET CHEMBL612558 | EC50 | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human gammaherpesvirus 4 | EC50 | = | 4000.0 | nM | 5.4 | Effective concentration of compound against Epstein Barr virus was determined | 10377226 |
| ADMET | EC50 | = | 93000.0 | nM | 4.03 | Tested in vitro for the antiviral assay in mitogen stimulated human peripheral b... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80870-2 | ADMET | 2 |
| - | 10.1016/S0960-894X(01)80870-2 | Vero | 1 |
| - | 10.1016/S0960-894X(01)80870-2 | MT4 | 1 |
| - | 10.1016/S0960-894X(01)80870-2 | CCRF-CEM | 1 |
| 10377226 | 10.1021/jm9806749 | Human gammaherpesvirus 4 | 1 |
| 10377226 | 10.1021/jm9806749 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine