Compound Detail
CHEMBL568708
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Basic Information
| ChEMBL ID | CHEMBL568708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOASVNMVYBSLSU-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
2.98
ALogP
4
HBA
1
HBD
22.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.05
EC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
| 5'-AMP-activated protein kinase catalytic subunit alpha-2 CHEMBL4637 | EC50 | 4.12 | 4.12 | 76100.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.05 | 4.05 | 88350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome subunit beta type-8 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of human chymotrypsin-like beta 5i subunit of iCP using suc-LLVY-AMC ... | 33894528 |
| Radical scavenging activity | IC50 | = | 46000.0 | nM | 4.34 | Antioxidant activity assessed as DPPH free radical scavenging activity by UV spe... | 19502068 |
| 5'-AMP-activated protein kinase catalytic subunit alpha-2 | EC50 | = | 76100.0 | nM | 4.12 | Activation of AMPK in rat L6 cells assessed as increase of [3H]dGlc uptake after... | 23750537 |
| NON-PROTEIN TARGET | IC50 | = | 88350.0 | nM | 4.05 | Antioxidant activity assessed as ABTS free radical scavenging activity by radica... | 19502068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23750537 | 10.1021/jm4001488 | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | 5 |
| 23750537 | 10.1021/jm4001488 | Unchecked | 2 |
| 19502068 | 10.1016/j.bmc.2009.05.039 | Radical scavenging activity | 1 |
| 19502068 | 10.1016/j.bmc.2009.05.039 | NON-PROTEIN TARGET | 1 |
| 23750537 | 10.1021/jm4001488 | No relevant target | 1 |
| 33894528 | 10.1016/j.ejmech.2021.113455 | Proteasome subunit beta type-8 | 1 |
Data from ChEMBL 36 via Core Engine