Compound Detail
CHEMBL563553
MULBERROFURAN H Enter ChEMBL ID:
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C[C@@]12C=C(c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C[C@@H](C1)c1ccc(O)cc1O2
Basic Information
| ChEMBL ID | CHEMBL563553 |
| Name | MULBERROFURAN H |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVTKGVROAGDVCH-OQRWROFFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
6.03
ALogP
6
HBA
4
HBD
103.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 4.81 | 4.81 | 15400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha | IC50 | = | 140.0 | nM | 6.85 | Inhibition of hypoxia-induced HIF1alpha protein accumulation in human Hep3B cell... | 19072214 |
| THP-1 | IC50 | = | 3200.0 | nM | 5.5 | Cytotoxicity against human THP1 cells after 24 hrs by WST1 assay | 24901948 |
| Hep 3B2 | IC50 | = | 15400.0 | nM | 4.81 | Inhibition of hypoxia-induced VEGF protein secretion in human Hep3B cells after ... | 19072214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19072214 | 10.1021/np800491u | Hep 3B2 | 1 |
| 19072214 | 10.1021/np800491u | Hypoxia-inducible factor 1-alpha | 1 |
| 19072214 | 10.1021/np800491u | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 1 |
| 19072214 | 10.1021/np800491u | ADMET | 1 |
| 24901948 | 10.1021/np401025f | THP-1 | 1 |
| 24901948 | 10.1021/np401025f | NON-PROTEIN TARGET | 1 |
| 24901948 | 10.1021/np401025f | Transcription factor p65 | 1 |
Data from ChEMBL 36 via Core Engine