Compound Detail
CHEMBL513023
MEDIORESINOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL513023 |
| Name | MEDIORESINOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJOBNGRIBLNUKN-ITZZLVQVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
3.20
ALogP
7
HBA
2
HBD
86.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | IC50 | = | 13700.0 | nM | 4.86 | Inhibition of human liver microsome CYP3A4 in assessed as [14C]formaldehyde form... | 15679319 |
| RAW264.7 | IC50 | = | 41000.0 | nM | 4.39 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 25592708 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25592708 | 10.1016/j.bmcl.2014.12.012 | RAW264.7 | 2 |
| 17358082 | 10.1021/np0604533 | WI-38 | 1 |
| 17358082 | 10.1021/np0604533 | WI-38 VA13 | 1 |
| 17358082 | 10.1021/np0604533 | HepG2 | 1 |
| 15679319 | 10.1021/np0401765 | Cytochrome P450 3A4 | 1 |
| 15679319 | 10.1021/np0401765 | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine