Compound Detail
CHEMBL146310
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Basic Information
| ChEMBL ID | CHEMBL146310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMMKCINBVUPREM-RCCFBDPRSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
2.92
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 7.7 | 7.7 | 20.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 20.0 | nM | 7.7 | Compound was evaluated for the inhibition of VZV strains of OKA | 10579812 |
| Human alphaherpesvirus 3 | EC50 | = | 20.0 | nM | 7.7 | Compound was evaluated for the inhibition of VZV strains of YS | 10579812 |
| Human alphaherpesvirus 3 | EC50 | = | 20.0 | nM | 7.7 | Evaluated for the anti-VZV activity, the concentration of compounds in uM requir... | 11150169 |
| Human alphaherpesvirus 3 | EC50 | = | 20.0 | nM | 7.7 | Evaluated for the anti-VZV activity, the concentration of compounds in uM requir... | 11150169 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11150169 | 10.1021/jm000210m | Human alphaherpesvirus 3 | 6 |
| 10579812 | 10.1021/jm990346o | Human alphaherpesvirus 3 | 4 |
| 10579812 | 10.1021/jm990346o | HEL | 2 |
| 11150169 | 10.1021/jm000210m | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine