Compound Detail
CHEMBL457679
ISOLICOFLAVONOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL457679 |
| Name | ISOLICOFLAVONOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGCKDCPTJAQQSQ-UHFFFAOYSA-N |
6
Targets
6
Activities
3
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.79
ALogP
6
HBA
4
HBD
111.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
EC50 1 meas. best 4.85
Ki 1 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| BV-2 CHEMBL614781 | IC50 | 5.54 | 5.54 | 2880.0 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 4.94 | 4.94 | 11510.0 | 1 |
| Endoribonuclease toxin MazF CHEMBL1795096 | EC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.42 | 4.42 | 37700.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.35 | 4.35 | 44700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of aromatase from human placental microsomes | 11678652 |
| BV-2 | IC50 | = | 2880.0 | nM | 5.54 | Antiinflammatory activity in mouse BV-2 cells assessed as reduction in LPS-induc... | 37683361 |
| Hep 3B2 | IC50 | = | 11510.0 | nM | 4.94 | Cytotoxicity against human Hep3B cells assessed as inhibition of cell proliferat... | 36549116 |
| Endoribonuclease toxin MazF | EC50 | = | 14000.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... | - |
| Unchecked | Ki | = | 37700.0 | nM | 4.42 | Uncompetitive inhibition of Bacillus subtilis N-terminal hexahistidine-tagged Ft... | 28196701 |
| HepG2 | IC50 | = | 44700.0 | nM | 4.35 | Cytotoxicity against human HepG2 cells assessed as inhibition of cell proliferat... | 36549116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28196701 | 10.1016/j.bmcl.2017.01.095 | Unchecked | 9 |
| 11678652 | 10.1021/np010288l | Aromatase | 1 |
| 26841168 | 10.1021/acs.jnatprod.5b00877 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 28196701 | 10.1016/j.bmcl.2017.01.095 | Bacillus subtilis | 1 |
| 36549116 | 10.1016/j.ejmech.2022.115006 | Hep 3B2 | 1 |
| 36549116 | 10.1016/j.ejmech.2022.115006 | HepG2 | 1 |
| 36549116 | 10.1016/j.ejmech.2022.115006 | Fibroblast growth factor receptor 1 | 1 |
| 37683361 | 10.1016/j.ejmech.2023.115791 | BV-2 | 1 |
Data from ChEMBL 36 via Core Engine