Compound Detail
CHEMBL381627
OMURALIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL381627 |
| Name | OMURALIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWPWHHUJACGNMZ-NBBQQVJHSA-N |
5
Targets
6
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
-0.57
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 20S proteasome CHEMBL3831201 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.24 | 6.755 | 57.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2167 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 49.0 | nM | 7.31 | Irreversible inhibition of 20S proteasome | 21835627 |
| 20S proteasome | IC50 | = | 49.0 | nM | 7.31 | Inhibition of 20S proteasome (unknown origin) by fluorescence based assay | 35063731 |
| Oryctolagus cuniculus | IC50 | = | 57.0 | nM | 7.24 | Inhibition of chymotrypsin-like (CT-L) activity of rabbit 20S proteasome | 15916417 |
| Oryctolagus cuniculus | IC50 | = | 540.0 | nM | 6.27 | Inhibition of trypsin-like (T-L) activity of rabbit 20S proteasome | 15916417 |
| HEK293 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of NF-kB activation in HEK293 cells | 15916417 |
| RPMI-8226 | IC50 | = | 3300.0 | nM | 5.48 | Cytotoxic activity against RPMI 8226 cells | 15916417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15916417 | 10.1021/jm048995+ | Oryctolagus cuniculus | 3 |
| 15916417 | 10.1021/jm048995+ | RPMI-8226 | 1 |
| 15916417 | 10.1021/jm048995+ | HEK293 | 1 |
| 21835627 | 10.1016/j.bmc.2011.07.017 | Unchecked | 1 |
| 23547757 | 10.1021/jm4002296 | No relevant target | 1 |
| 35063731 | 10.1016/j.ejmech.2022.114117 | 20S proteasome | 1 |
Data from ChEMBL 36 via Core Engine