Compound Detail
CHEMBL3797928
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O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1C#Cc1ccc2c3cccc4cccc(c5cccc1c52)c43
Basic Information
| ChEMBL ID | CHEMBL3797928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMGZCFXCMATIAO-FKGPWWPUSA-N |
10
Targets
23
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
518.5
MW (Da)
2.60
ALogP
7
HBA
4
HBD
124.8
PSA (Ų)
0.16
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 13 meas. best 8.7
IC50 10 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 2 CHEMBL370 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Influenza A virus CHEMBL613740 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
| Influenza A virus CHEMBL613740 | EC50 | 8.7 | 8.7 | 2.0 | 2 |
| Vesicular stomatitis virus CHEMBL613739 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Vesicular stomatitis virus CHEMBL613739 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Sindbis virus CHEMBL613725 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Sindbis virus CHEMBL613725 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Murid betaherpesvirus 1 CHEMBL613495 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Maize chlorotic mottle virus CHEMBL612939 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
| Hepatitis C virus CHEMBL379 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Human alphaherpesvirus 2 CHEMBL370 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.75 | 6.9067 | 18.0 | 3 |
| Tick-borne encephalitis virus CHEMBL4296604 | EC50 | 7.68 | 7.68 | 21.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine