Compound Detail
CHEMBL3704248
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Basic Information
| ChEMBL ID | CHEMBL3704248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQKBUYJWZNQIMV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
5.44
ALogP
7
HBA
1
HBD
86.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Flap endonuclease 1 CHEMBL5027 | Ki | 9.1 | 9.05 | 0.8 | 2 |
| Arachidonate 5-lipoxygenase-activating protein CHEMBL4550 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Flap endonuclease 1 | Ki | = | 0.8 | nM | 9.1 | Binding Assay: The assay below is used to test the modulatory activity of compou... | - |
| Arachidonate 5-lipoxygenase-activating protein | Ki | = | 1.0 | nM | 9.0 | Homogeneous Time Resolved Fluorescence Assay: The assay below is used to test th... | - |
| Flap endonuclease 1 | Ki | = | 1.0 | nM | 9.0 | Binding Assay: The assay below is used to test the modulatory activity of compou... | - |
Data from ChEMBL 36 via Core Engine