Compound Detail
CHEMBL521975
EPIGOMISIN O Enter ChEMBL ID:
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COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL521975 |
| Name | EPIGOMISIN O |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWDFJIBHVSYXQL-ZKTNFTSUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
3.98
ALogP
7
HBA
1
HBD
75.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 42000.0 | nM | 4.38 | Antiviral activity against HIV1 3B in H9 cells after 4 days by p24-antigen ELISA | 17190445 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19673515 | 10.1021/np9003678 | PBMC | 3 |
| 17190445 | 10.1021/np060239e | Human immunodeficiency virus 1 | 1 |
| 17190445 | 10.1021/np060239e | H9 | 1 |
| 17190445 | 10.1021/np060239e | ADMET | 1 |
Data from ChEMBL 36 via Core Engine