Compound Detail
CHEMBL452764
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Basic Information
| ChEMBL ID | CHEMBL452764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLVVZWQVFLLMQZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
276.2
MW (Da)
1.75
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptojanin-2 CHEMBL4523129 | IC50 | 5.55 | 5.55 | 2840.0 | 3 |
| Radical scavenging activity CHEMBL613712 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptojanin-2 | IC50 | = | 2840.0 | nM | 5.55 | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cell... | - |
| Synaptojanin-2 | IC50 | = | 2840.0 | nM | 5.55 | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cell... | - |
| Synaptojanin-2 | IC50 | = | 2840.0 | nM | 5.55 | Inhibition of recombinant full length C-Myc/DDK-tagged human SYNJ2 expressed in ... | - |
| Radical scavenging activity | IC50 | = | 7800.0 | nM | 5.11 | Antioxidant activity assessed as DPPH radical scavenging activity | 12932126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12932126 | 10.1021/np030065q | Radical scavenging activity | 1 |
| 12932126 | 10.1021/np030065q | Artemia | 1 |
Data from ChEMBL 36 via Core Engine