Compound Detail
CHEMBL453280
ISOFORMONENTIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL453280 |
| Name | ISOFORMONENTIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNIQZRIHAMVRJA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.17
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of XOD (unknown origin) using xanthine as substrate preincubated for ... | 37625387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20669983 | 10.1021/jm100610w | Estrogen receptor | 4 |
| 20669983 | 10.1021/jm100610w | MCF7 | 4 |
| 37625387 | 10.1021/acs.jnatprod.3c00099 | Xanthine dehydrogenase/oxidase | 2 |
| 6330305 | 10.1021/np50030a005 | Unchecked | 1 |
| 19124244 | 10.1016/j.bmcl.2008.12.064 | Osteoblast | 1 |
Data from ChEMBL 36 via Core Engine