Compound Detail
CHEMBL3105535
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C/C=C/c1cc(OC)c(O[C@H](C)[C@H](OC(C)=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL3105535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDVYEAVKWMGOPV-YDORHEMQSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
4.83
ALogP
8
HBA
0
HBD
81.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.59
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.77 | 4.77 | 16900.0 | 1 |
| Human gammaherpesvirus 4 CHEMBL613124 | EC50 | 4.59 | 4.59 | 25400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 16900.0 | nM | 4.77 | Inhibition of LPS-induced NO production in mouse RAW264.7 cells incubated for 24... | 31642320 |
| Human gammaherpesvirus 4 | EC50 | = | 25400.0 | nM | 4.59 | Antiviral activity against EBV infected in human P3HR1 cells assessed as inhibit... | 24359277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31642320 | 10.1021/acs.jnatprod.9b00520 | RAW264.7 | 2 |
| 24359277 | 10.1021/np400757k | Unchecked | 1 |
| 24359277 | 10.1021/np400757k | ADMET | 1 |
| 24359277 | 10.1021/np400757k | Human gammaherpesvirus 4 | 1 |
Data from ChEMBL 36 via Core Engine