Compound Detail
CHEMBL596726
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Basic Information
| ChEMBL ID | CHEMBL596726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXZNFXSPMLZFMU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.37
ALogP
7
HBA
5
HBD
122.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
| Alpha-amylase 1A CHEMBL2478 | IC50 | 3.19 | 3.19 | 642000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of Escherichia coli DNA gyrase B ATPase activity | 20045642 |
| Alpha-amylase 1A | IC50 | = | 642000.0 | nM | 3.19 | Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis... | 26395057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20045642 | 10.1016/j.bmcl.2009.12.060 | Unchecked | 1 |
| 26395057 | 10.1016/j.bmc.2015.09.007 | Alpha-amylase 1A | 1 |
Data from ChEMBL 36 via Core Engine