Compound Detail
CHEMBL221283
EUPATORIOPICRIN Enter ChEMBL ID:
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C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL221283 |
| Name | EUPATORIOPICRIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWJYWGYJIDQUEG-UWRPYMCXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
1.98
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| UDP-N-acetylglucosamine 1-carboxyvinyltransferase CHEMBL1075208 | IC50 | 4.7 | 4.7 | 19800.0 | 1 |
| UDP-N-acetylglucosamine 1-carboxyvinyltransferase CHEMBL1984 | IC50 | 4.49 | 4.49 | 32700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 5700.0 | nM | 5.24 | Cytotoxicity against mouse EAC after 3 days by MTT assay | 8350087 |
| UDP-N-acetylglucosamine 1-carboxyvinyltransferase | IC50 | = | 19800.0 | nM | 4.7 | Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG | 16945528 |
| UDP-N-acetylglucosamine 1-carboxyvinyltransferase | IC50 | = | 32700.0 | nM | 4.49 | Inhibition of Escherichia coli K12 Mur A in presence of UNAG | 16945528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16945528 | 10.1016/j.bmcl.2006.08.021 | UDP-N-acetylglucosamine 1-carboxyvinyltransferase | 3 |
| 8350087 | 10.1021/np50096a007 | NON-PROTEIN TARGET | 2 |
| 16945528 | 10.1016/j.bmcl.2006.08.021 | Unchecked | 1 |
| 18329753 | 10.1016/j.ejmech.2008.01.003 | KB | 1 |
Data from ChEMBL 36 via Core Engine