Compound Detail
CHEMBL2036406
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2036406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKFXPUKCWYSDGH-UITAMQMPSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
1.13
ALogP
8
HBA
3
HBD
110.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.84 | 4.52 | 14300.0 | 2 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 14300.0 | nM | 4.84 | Antiviral activity against HHV-6B infected in human Molt3 cells assessed as redu... | 22607883 |
| Human betaherpesvirus 5 | IC50 | = | 42000.0 | nM | 4.38 | Antiviral activity against HCMV infected in human HFF cells assessed as reductio... | 22607883 |
| NON-PROTEIN TARGET | IC50 | = | 63000.0 | nM | 4.2 | Antiviral activity against HHV-6A infected in human HSB2 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