Compound Detail
CHEMBL223923
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COc1cc([C@H]2O[C@H](c3cc(OC)c4c(c3)OCO4)[C@@H](COC(C)=O)[C@@H]2CO)cc(OC)c1O
Basic Information
| ChEMBL ID | CHEMBL223923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUEJBEWUMWMVJE-WVZRZZCNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
2.75
ALogP
10
HBA
2
HBD
122.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.3 | 4.3 | 49800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 49800.0 | nM | 4.3 | Antiviral activity against on HIV1 3b infected C8166 cells assessed as syncytial... | 17291043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17291043 | 10.1021/np0605236 | Human immunodeficiency virus 1 | 1 |
| 17291043 | 10.1021/np0605236 | C8166 | 1 |
| 17291043 | 10.1021/np0605236 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine