Compound Detail
CHEMBL2392187
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2cc(CC=C(C)C)c(O)c(OC)c2)cc(CC=C(C)C)c1O
Basic Information
| ChEMBL ID | CHEMBL2392187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOFXSNNIVTWGOH-UTLPMFLDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
6.39
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 700.0 | nM | 6.16 | Inhibition of human recombinant 5-LO expressed in Escherichia coli Bl21 (DE3) us... | 24920381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24920381 | 10.1021/jm500308c | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 24920381 | 10.1021/jm500308c | Prostaglandin G/H synthase 1 | 2 |
| 23742639 | 10.1021/np400148e | Nuclear factor erythroid 2-related factor 2 | 1 |
| 23742639 | 10.1021/np400148e | Unchecked | 1 |
| 24920381 | 10.1021/jm500308c | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 24920381 | 10.1021/jm500308c | Prostaglandin E synthase | 1 |
| 24920381 | 10.1021/jm500308c | Radical scavenging activity | 1 |
| 24920381 | 10.1021/jm500308c | Nuclear factor NF-kappa-B complex | 1 |
| 24920381 | 10.1021/jm500308c | Signal transducer and activator of transcription 3 | 1 |
| 24920381 | 10.1021/jm500308c | LNCaP | 1 |
| 24920381 | 10.1021/jm500308c | PBMC | 1 |
| 24920381 | 10.1021/jm500308c | No relevant target | 1 |
| 24920381 | 10.1021/jm500308c | Nuclear factor erythroid 2-related factor 2 | 1 |
| 24920381 | 10.1021/jm500308c | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 24920381 | 10.1021/jm500308c | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine