Compound Detail
CHEMBL247559
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Basic Information
| ChEMBL ID | CHEMBL247559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJPVPNNIOZGDFS-IZZDOVSWSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
2.77
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.92
EC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Brain CHEMBL613617 | IC50 | 4.92 | 4.92 | 12110.0 | 1 |
| No relevant target CHEMBL2362975 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.57 | 4.57 | 27150.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Brain | IC50 | = | 12110.0 | nM | 4.92 | Antioxidant activity in Wistar rat brain assessed as inhibition of lipid peroxid... | 17967537 |
| No relevant target | EC50 | = | 13000.0 | nM | 4.89 | Antioxidant activity assessed as DPPH free radical scavenging activity | 28537720 |
| Radical scavenging activity | IC50 | = | 27150.0 | nM | 4.57 | Antioxidant activity assessed as DPPH free radical scavenging activity | 17967537 |
| Unchecked | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using PNP-G as substart... | 28537720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9418-y | HUVEC | 3 |
| 17967537 | 10.1016/j.bmcl.2007.10.034 | Radical scavenging activity | 1 |
| 17967537 | 10.1016/j.bmcl.2007.10.034 | Brain | 1 |
| 17967537 | 10.1016/j.bmcl.2007.10.034 | NON-PROTEIN TARGET | 1 |
| 28537720 | 10.1021/acs.jmedchem.6b01720 | Unchecked | 1 |
| 28537720 | 10.1021/acs.jmedchem.6b01720 | No relevant target | 1 |
| 37150057 | 10.1016/j.ejmech.2023.115374 | Phosphodiesterase 4 | 1 |
| 37150057 | 10.1016/j.ejmech.2023.115374 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine