Compound Detail
CHEMBL445265
MULBERROFURAN G Enter ChEMBL ID:
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CC1=C[C@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@@]3(c4ccc(O)cc4O)Oc4cc(O)ccc4[C@H](C1)[C@@H]23
Basic Information
| ChEMBL ID | CHEMBL445265 |
| Name | MULBERROFURAN G |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJJWBJFYYRAYKU-OPKNDJPNSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
562.6
MW (Da)
7.10
ALogP
8
HBA
5
HBD
132.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Platelet CHEMBL4296519 | IC50 | 4.97 | 4.4933 | 10700.0 | 3 |
| Hep 3B2 CHEMBL4296437 | IC50 | 4.54 | 4.54 | 28600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of hypoxia-induced HIF1alpha protein accumulation in human Hep3B cell... | 19072214 |
| Platelet | IC50 | = | 10700.0 | nM | 4.97 | Inhibition of 12-hydroxy-5,8,10-heptadecatrienoic acid formation in Wistar King ... | 3097265 |
| Hep 3B2 | IC50 | = | 28600.0 | nM | 4.54 | Inhibition of hypoxia-induced VEGF protein secretion in human Hep3B cells after ... | 19072214 |
| Platelet | IC50 | = | 34700.0 | nM | 4.46 | Inhibition of thromboxane B2 formation in Wistar King platelets | 3097265 |
| Platelet | IC50 | = | 89000.0 | nM | 4.05 | Inhibition of 12-hydroxy-5,8,10,14-eicosatetraenoic acid formation in Wistar Kin... | 3097265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3097265 | 10.1021/np50046a013 | Platelet | 3 |
| 19072214 | 10.1021/np800491u | Hypoxia-inducible factor 1-alpha | 1 |
| 19072214 | 10.1021/np800491u | Hep 3B2 | 1 |
| 19072214 | 10.1021/np800491u | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 1 |
| 35398739 | 10.1016/j.bmc.2022.116742 | Microtubule-associated protein tau | 1 |
Data from ChEMBL 36 via Core Engine