Compound Detail
CHEMBL486189
ATRACTYLON Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL486189 |
| Name | ATRACTYLON |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYPSVDGIQAOBAD-DZGCQCFKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
216.3
MW (Da)
4.05
ALogP
1
HBA
0
HBD
13.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 4.6 | 4.6 | 25100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of D2 receptor (unknown origin) | 39038276 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 25100.0 | nM | 4.6 | Inhibition of 5-lipoxygenase | 9544564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6418860 | 10.1021/np50029a010 | Hepatocyte | 6 |
| 6418860 | 10.1021/np50029a010 | Alanine aminotransferase 1 | 1 |
| 9544564 | 10.1021/np970430b | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 9544564 | 10.1021/np970430b | Prostaglandin G/H synthase 1 | 1 |
| 21520395 | 10.1002/ps.2180 | Drosophila melanogaster | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine