Compound Detail
CHEMBL4064323
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Basic Information
| ChEMBL ID | CHEMBL4064323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YABIJLLNNFURIJ-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
4.61
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.38
Kd 1 meas. best 4.68
Ki 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Arachidonate 5-lipoxygenase-activating protein CHEMBL4550 | Kd | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1700.0 | nM | 5.77 | Mixed inhibition of SARS-CoV N-terminal 6His-tagged TEV-fused papain-like protea... | 32845145 |
| Unchecked | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of SARS-CoV N-terminal 6His-tagged TEV-fused papain-like protease exp... | 32845145 |
| Arachidonate 5-lipoxygenase-activating protein | Kd | = | 21000.0 | nM | 4.68 | Binding affinity to recombinant human 6His-tagged FLAP expressed in Escherichia ... | 28252961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32845145 | 10.1021/acs.jmedchem.0c00626 | Unchecked | 2 |
| 28252961 | 10.1021/acs.jmedchem.6b01287 | Arachidonate 5-lipoxygenase-activating protein | 1 |
Data from ChEMBL 36 via Core Engine