Compound Detail
CHEMBL465879
BROUSSONIN A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL465879 |
| Name | BROUSSONIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSNVBURPCQDLEP-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
3.28
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.75
EC50 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 6.28 | 6.28 | 530.0 | 1 |
| Estrogen receptor CHEMBL206 | EC50 | 5.8 | 5.8 | 1590.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
| Aromatase CHEMBL1978 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| 3T3-L1 CHEMBL614510 | IC50 | 4.13 | 4.13 | 74500.0 | 1 |
| Pancreatic triacylglycerol lipase CHEMBL1687677 | IC50 | 4.01 | 4.01 | 98700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 530.0 | nM | 6.28 | Transactivation of human recombinant ERbeta expressed in african green monkey CV... | 20493686 |
| Estrogen receptor | EC50 | = | 1590.0 | nM | 5.8 | Transactivation of human recombinant ERalpha expressed in african green monkey C... | 20493686 |
| Estrogen receptor beta | IC50 | = | 1800.0 | nM | 5.75 | Displacement of [3H]17-beta-estradiol from human recombinant full length ERbeta | 20493686 |
| Estrogen receptor | IC50 | = | 8100.0 | nM | 5.09 | Displacement of [3H]17-beta-estradiol from human recombinant full length ERalpha | 20493686 |
| Aromatase | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of aromatase from human placental microsomes | 11678652 |
| 3T3-L1 | IC50 | = | 74500.0 | nM | 4.13 | Antiadipogenic activity against mouse 3T3L1 cells assessed as inhibition of diff... | 19757853 |
| Pancreatic triacylglycerol lipase | IC50 | = | 98700.0 | nM | 4.01 | Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate... | 22450131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20493686 | 10.1016/j.bmcl.2010.04.064 | Estrogen receptor | 5 |
| 20493686 | 10.1016/j.bmcl.2010.04.064 | Estrogen receptor beta | 5 |
| 20493686 | 10.1016/j.bmcl.2010.04.064 | MCF7 | 4 |
| 22450131 | 10.1016/j.bmcl.2012.02.088 | Pancreatic triacylglycerol lipase | 2 |
| 11678652 | 10.1021/np010288l | Aromatase | 1 |
| 19757853 | 10.1021/np900397f | 3T3-L1 | 1 |
| 20493686 | 10.1016/j.bmcl.2010.04.064 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine