Compound Detail
CHEMBL450070
ATRACTYLOCHROMENE 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
Basic Information
| ChEMBL ID | CHEMBL450070 |
| Name | ATRACTYLOCHROMENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBBCGWKGCBJQIW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
4.61
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.48 | 5.48 | 3300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of 5-lipoxygenase | 9544564 |
| Prostaglandin G/H synthase 1 | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of COX1 | 16038536 |
| Prostaglandin G/H synthase 1 | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of COX1 | 9544564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 1 | 1 |
| 9544564 | 10.1021/np970430b | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 9544564 | 10.1021/np970430b | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine