Compound Detail
CHEMBL226395
METHYLGUANINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL226395 |
| Name | METHYLGUANINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXJHWYVXLGLDMZ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
-0.06
ALogP
5
HBA
2
HBD
89.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human gammaherpesvirus 4 CHEMBL613124 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
| Human gammaherpesvirus 8 CHEMBL612780 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human gammaherpesvirus 4 | IC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against EBV Akata infected in human Akata cells assessed as r... | 22607883 |
| Human betaherpesvirus 5 | IC50 | = | 2800.0 | nM | 5.55 | Antiviral activity against HCMV infected in human HFF cells assessed as reductio... | 22607883 |
| Human alphaherpesvirus 3 | IC50 | = | 7400.0 | nM | 5.13 | Antiviral activity against VZV infected in human HFF cells assessed as reduction... | 22607883 |
| Human gammaherpesvirus 8 | IC50 | = | 13000.0 | nM | 4.89 | Antiviral activity against HHV-8 infected in human BCBL1 cells assessed as reduc... | 22607883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063604 | 10.1021/jm000961o | Methylated-DNA--protein-cysteine methyltransferase | 3 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | ADMET | 3 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | NON-PROTEIN TARGET | 2 |
| 1447749 | 10.1021/jm00101a028 | Methylated-DNA--protein-cysteine methyltransferase | 2 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human alphaherpesvirus 3 | 1 |
| 28005359 | 10.1021/acs.jmedchem.6b01254 | Cyclin-dependent kinase 2 | 1 |
| 28005359 | 10.1021/acs.jmedchem.6b01254 | No relevant target | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human gammaherpesvirus 8 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | MOLT-3 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human gammaherpesvirus 4 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | HFF | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human betaherpesvirus 5 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human alphaherpesvirus 2 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human alphaherpesvirus 1 | 1 |
| 18271520 | 10.1021/jm070654j | Unchecked | 1 |
| 18271520 | 10.1021/jm070654j | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 17379526 | 10.1016/j.bmc.2007.03.010 | Xanthine dehydrogenase/oxidase | 1 |
| 12139449 | 10.1021/jm020056z | Cyclin-dependent kinase 2/cyclin A | 1 |
| 12139449 | 10.1021/jm020056z | Cyclin-dependent kinase 1/cyclin B1 | 1 |
Data from ChEMBL 36 via Core Engine