Compound Detail
CHEMBL485672
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COC(=O)[C@@H]1C(CO)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3
Basic Information
| ChEMBL ID | CHEMBL485672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKQMQYZIOMFSMC-NHCUHLMSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
2.75
ALogP
8
HBA
1
HBD
92.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Vesicular stomatitis virus CHEMBL613739 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | IC50 | = | 460.0 | nM | 6.34 | Antiviral activity against HSV1 infected in monkey CV-1 cells assessed as inhibi... | 9834179 |
| Vesicular stomatitis virus | IC50 | = | 460.0 | nM | 6.34 | Antiviral activity against VSV infected in BHK cells assessed as inhibition of p... | 9834179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9834179 | 10.1021/np980136z | Human alphaherpesvirus 1 | 1 |
| 9834179 | 10.1021/np980136z | Vesicular stomatitis virus | 1 |
Data from ChEMBL 36 via Core Engine