Compound Detail
CHEMBL564896
ALBAFURAN A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL564896 |
| Name | ALBAFURAN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGOOVUKZICPAIZ-FRKPEAEDSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
6.45
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hep 3B2 CHEMBL4296437 | IC50 | 5.58 | 5.58 | 2620.0 | 1 |
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.46 | 5.46 | 3510.0 | 1 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 5.2 | 5.2 | 6270.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hep 3B2 | IC50 | = | 2620.0 | nM | 5.58 | Inhibition of hypoxia-induced VEGF protein secretion in human Hep3B cells after ... | 19072214 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 3510.0 | nM | 5.46 | Inhibition of hypoxia-induced HIF1alpha protein accumulation in human Hep3B cell... | 19072214 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 6270.0 | nM | 5.2 | Inhibition of hypoxia-induced HIF1 activation in human Hep3B cells by pGL3-HRE-l... | 19072214 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of human recombinant PTP1B | 19846295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19846295 | 10.1016/j.bmcl.2009.09.102 | Tyrosine-protein phosphatase non-receptor type 1 | 3 |
| 25935644 | 10.1016/j.bmcl.2015.04.045 | Pancreatic triacylglycerol lipase | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine