Compound Detail
CHEMBL2299191
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Basic Information
| ChEMBL ID | CHEMBL2299191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXZMXYOGNNBESL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
244.4
MW (Da)
5.21
ALogP
2
HBA
0
HBD
13.1
PSA (Ų)
0.64
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lactoperoxidase CHEMBL2295561 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lactoperoxidase | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of Bos taurus (bovine) milk lactoperoxidase-catalyzed iodination of L... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0475-x | Lactoperoxidase | 2 |
Data from ChEMBL 36 via Core Engine