Compound Detail
CHEMBL61323
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Basic Information
| ChEMBL ID | CHEMBL61323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKAZLDCPHOOOKH-PHDIDXHHSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
232.2
MW (Da)
-1.46
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | EC50 | 4.54 | 4.35 | 28500.0 | 2 |
| Human gammaherpesvirus 4 CHEMBL613124 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | EC50 | = | 28500.0 | nM | 4.54 | Tested in vitro for the antiviral assay in mitogen stimulated human peripheral b... | - |
| Human gammaherpesvirus 4 | EC50 | = | 50000.0 | nM | 4.3 | Effective concentration of compound against Epstein Barr virus was determined | 10377226 |
| ADMET | EC50 | = | 69600.0 | nM | 4.16 | Effective concentration against HIV-1 in peripheral blood mononuclear cells (PBM... | 1597854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80870-2 | ADMET | 2 |
| 1597854 | 10.1021/jm00089a007 | ADMET | 2 |
| 10377226 | 10.1021/jm9806749 | Human gammaherpesvirus 4 | 2 |
| 10377226 | 10.1021/jm9806749 | ADMET | 2 |
| - | 10.1016/S0960-894X(01)80870-2 | Vero | 1 |
| - | 10.1016/S0960-894X(01)80870-2 | CCRF-CEM | 1 |
| - | 10.1016/S0960-894X(01)80870-2 | MT4 | 1 |
| 1597854 | 10.1021/jm00089a007 | Vero | 1 |
| - | 10.1016/0960-894X(95)00343-R | Hepatoma cell line | 1 |
Data from ChEMBL 36 via Core Engine