Compound Detail
CHEMBL444464
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Basic Information
| ChEMBL ID | CHEMBL444464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCMDFDISEGQDQT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
172.2
MW (Da)
1.17
ALogP
5
HBA
0
HBD
36.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lactoperoxidase CHEMBL5898 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lactoperoxidase | IC50 | = | 10700.0 | nM | 4.97 | Inhibition of lactoperoxidase-catalyzed iodination of L-tyrosine assessed as 3,5... | 18954039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18954039 | 10.1021/jm800894m | Lactoperoxidase | 1 |
Data from ChEMBL 36 via Core Engine