Compound Detail
CHEMBL2036402
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Basic Information
| ChEMBL ID | CHEMBL2036402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJXNPMANYPQERA-UQCOIBPSSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
345.3
MW (Da)
0.57
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human gammaherpesvirus 4 CHEMBL613124 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
| Human gammaherpesvirus 8 CHEMBL612780 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human gammaherpesvirus 4 | IC50 | = | 1400.0 | nM | 5.85 | Antiviral activity against EBV Akata infected in human Akata cells assessed as r... | 22607883 |
| Human betaherpesvirus 5 | IC50 | = | 5600.0 | nM | 5.25 | Antiviral activity against HCMV infected in human HFF cells assessed as reductio... | 22607883 |
| NON-PROTEIN TARGET | IC50 | = | 8900.0 | nM | 5.05 | Antiviral activity against HHV-6B infected in human Molt3 cells assessed as redu... | 22607883 |
| Human gammaherpesvirus 8 | IC50 | = | 19000.0 | nM | 4.72 | Antiviral activity against HHV-8 infected in human BCBL1 cells assessed as reduc... | 22607883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22607883 | 10.1016/j.bmc.2012.04.049 | ADMET | 3 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | NON-PROTEIN TARGET | 2 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human alphaherpesvirus 1 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human alphaherpesvirus 2 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human alphaherpesvirus 3 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human betaherpesvirus 5 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | HFF | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human gammaherpesvirus 4 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | MOLT-3 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human gammaherpesvirus 8 | 1 |
Data from ChEMBL 36 via Core Engine