Compound Detail
CHEMBL517247
MULBERROFURAN D Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL517247 |
| Name | MULBERROFURAN D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCJPAQJEARHLGS-KEBDBYFISA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
7.96
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pancreatic triacylglycerol lipase CHEMBL1687677 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 5.66 | 5.66 | 2170.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.43 | 5.43 | 3740.0 | 1 |
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.39 | 5.39 | 4050.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 5.06 | 5.06 | 8760.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.64 | 4.64 | 23050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pancreatic triacylglycerol lipase | IC50 | = | 90.0 | nM | 7.05 | Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrat... | 27156775 |
| Hep 3B2 | IC50 | = | 2170.0 | nM | 5.66 | Inhibition of hypoxia-induced VEGF protein secretion in human Hep3B cells after ... | 19072214 |
| Beta-secretase 1 | IC50 | = | 3740.0 | nM | 5.43 | Inhibition of BACE1 (unknown origin) | 33984802 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 4050.0 | nM | 5.39 | Inhibition of hypoxia-induced HIF1alpha protein accumulation in human Hep3B cell... | 19072214 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of human recombinant PTP1B | 19846295 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 8760.0 | nM | 5.06 | Inhibition of hypoxia-induced HIF1 activation in human Hep3B cells by pGL3-HRE-l... | 19072214 |
| Acetylcholinesterase | IC50 | = | 23050.0 | nM | 4.64 | Inhibition of AChE (unknown origin) | 33984802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19846295 | 10.1016/j.bmcl.2009.09.102 | Tyrosine-protein phosphatase non-receptor type 1 | 3 |
| 11429996 | 10.1021/np000317c | ADMET | 2 |
| 11429996 | 10.1021/np000317c | HSC-2 | 1 |
| 11429996 | 10.1021/np000317c | NON-PROTEIN TARGET | 1 |
| 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 |
| 27156775 | 10.1016/j.bmcl.2016.04.066 | Pancreatic triacylglycerol lipase | 1 |
| 33984802 | 10.1016/j.ejmech.2021.113492 | Acetylcholinesterase | 1 |
| 33984802 | 10.1016/j.ejmech.2021.113492 | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine