Compound Detail
CHEMBL3704251
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Basic Information
| ChEMBL ID | CHEMBL3704251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVEJYPAMJWHDSH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
415.4
MW (Da)
3.12
ALogP
8
HBA
1
HBD
121.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Flap endonuclease 1 CHEMBL5027 | Ki | 8.33 | 8.315 | 4.7 | 2 |
| Arachidonate 5-lipoxygenase-activating protein CHEMBL4550 | Ki | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Flap endonuclease 1 | Ki | = | 4.7 | nM | 8.33 | Binding Assay: The assay below is used to test the modulatory activity of compou... | - |
| Arachidonate 5-lipoxygenase-activating protein | Ki | = | 5.0 | nM | 8.3 | Homogeneous Time Resolved Fluorescence Assay: The assay below is used to test th... | - |
| Flap endonuclease 1 | Ki | = | 5.0 | nM | 8.3 | Binding Assay: The assay below is used to test the modulatory activity of compou... | - |
Data from ChEMBL 36 via Core Engine