Compound Detail
CHEMBL510120
OXYPEUCEDANIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL510120 |
| Name | OXYPEUCEDANIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTAGQHZOLRFCBU-ZDUSSCGKSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
3.10
ALogP
5
HBA
0
HBD
65.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.13
EC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.13 | 4.13 | 74800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 | EC50 | = | 25000.0 | nM | 4.6 | Positive allosteric modulation of human GABA-A alpha1beta2gamma2S receptor expre... | 30928713 |
| Unchecked | IC50 | = | 74800.0 | nM | 4.13 | Antioxidant activity assessed as inhibition of ferrous chloride-induced lipid pe... | 28885836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30928713 | 10.1016/j.ejmech.2019.03.043 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 3 |
| 9157191 | 10.1021/np960407a | Mus musculus | 2 |
| 30070833 | 10.1021/acs.jnatprod.8b00405 | PANC-1 | 2 |
| 30070833 | 10.1021/acs.jnatprod.8b00405 | PSN1 | 2 |
| 30070833 | 10.1021/acs.jnatprod.8b00405 | MIA PaCa-2 | 2 |
| 7760070 | 10.1021/np50115a019 | Cladosporium cucumerinum | 1 |
| 7760070 | 10.1021/np50115a019 | Aedes aegypti | 1 |
| 21627108 | 10.1021/np200072a | NON-PROTEIN TARGET | 1 |
| 22222157 | 10.1016/j.bmc.2011.12.002 | Beta-secretase 1 | 1 |
| 28885836 | 10.1021/acs.jnatprod.7b00322 | Unchecked | 1 |
| 30108931 | 10.1039/C7MD00388A | Cytochrome P450 1A1 | 1 |
Data from ChEMBL 36 via Core Engine