Compound Detail
CHEMBL483004
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COc1cc([C@@H]2c3cc4c(c(OC)c3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL483004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFKORKXLSJUYSS-RQUSPXKASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
2.93
ALogP
8
HBA
0
HBD
81.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Vesicular stomatitis virus CHEMBL613739 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 16.0 | nM | 7.8 | Antiproliferative activity against human PC3 cells after 72 hrs by MTT assay | 27214307 |
| Human alphaherpesvirus 1 | IC50 | = | 23.0 | nM | 7.64 | Antiviral activity against HSV1 infected in monkey CV-1 cells assessed as inhibi... | 9834179 |
| Vesicular stomatitis virus | IC50 | = | 23.0 | nM | 7.64 | 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 |
| 6253598 | 10.1021/np50010a010 | KB | 1 |
| 27214307 | 10.1021/acs.jnatprod.5b00988 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine