Compound Detail
CHEMBL394528
AGLAFOLIN Enter ChEMBL ID:
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COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(OC)cc(OC)cc3O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL394528 |
| Name | AGLAFOLIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFTGDXPPYSWBSO-GWNOIRNCSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
492.5
MW (Da)
3.14
ALogP
8
HBA
2
HBD
103.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.0
IC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic initiation factor 4A-I CHEMBL2052028 | EC50 | 8.0 | 7.525 | 10.0 | 2 |
| MDA-MB-231 CHEMBL400 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
| Hepatitis E virus CHEMBL5465478 | EC50 | 7.55 | 7.535 | 28.4 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eukaryotic initiation factor 4A-I | EC50 | = | 10.0 | nM | 8.0 | Inhibition of eIF4FA in human MDA-MB-231 cells transfected with c-myc- 5'-UTR-lu... | 23025805 |
| MDA-MB-231 | EC50 | = | 16.0 | nM | 7.8 | Growth inhibition of human MDA-MB-231 cells incubated for 72 hrs by MTS assay | 23025805 |
| Hepatitis E virus | EC50 | = | 28.4 | nM | 7.55 | Antiviral activity against HEV Kernow-C1 infected in gaussia luciferase transfec... | 38127656 |
| Hepatitis E virus | EC50 | = | 29.9 | nM | 7.52 | Antiviral activity against HEV Kernow-C1 infected in gaussia luciferase transfec... | 38127656 |
| Eukaryotic initiation factor 4A-I | EC50 | = | 90.0 | nM | 7.05 | Inhibition of eIF4FA in human MDA-MB-231 cells transfected with tubulin 5'-UTR-l... | 23025805 |
| Unchecked | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of NF-kappaB by ELISA assay | 17055270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9214732 | 10.1021/np970163+ | NON-PROTEIN TARGET | 4 |
| 38127656 | 10.1021/acs.jmedchem.3c01357 | Hepatitis E virus | 4 |
| 10775404 | 10.1021/jf990509h | Pyricularia grisea | 3 |
| 10775404 | 10.1021/jf990509h | Fusarium avenaceum | 3 |
| 10775404 | 10.1021/jf990509h | Alternaria citri | 3 |
| 23025805 | 10.1021/jm3011542 | Eukaryotic initiation factor 4A-I | 3 |
| 26718843 | 10.1016/j.bmcl.2015.12.045 | Eukaryotic initiation factor 4A-I | 2 |
| 38127656 | 10.1021/acs.jmedchem.3c01357 | HepG2 | 2 |
| 38127656 | 10.1021/acs.jmedchem.3c01357 | ADMET | 2 |
| 15043407 | 10.1021/np0304417 | Col2 | 1 |
| 9214732 | 10.1021/np970163+ | TE-671 | 1 |
| 15043407 | 10.1021/np0304417 | KB | 1 |
| 15043407 | 10.1021/np0304417 | LNCaP | 1 |
| 15043407 | 10.1021/np0304417 | Lu1 | 1 |
| 15043407 | 10.1021/np0304417 | NON-PROTEIN TARGET | 1 |
| 23025805 | 10.1021/jm3011542 | MDA-MB-231 | 1 |
| 9214732 | 10.1021/np970163+ | P388 | 1 |
| 9214732 | 10.1021/np970163+ | HCT-8 | 1 |
| 9214732 | 10.1021/np970163+ | A549 | 1 |
| 9214732 | 10.1021/np970163+ | KB | 1 |
Data from ChEMBL 36 via Core Engine