Compound Detail
CHEMBL278555
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL278555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYQYRKDGHAPZRF-INIZCTEOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
2.78
ALogP
3
HBA
2
HBD
68.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myeloperoxidase CHEMBL2439 | IC50 | 6.96 | 6.83 | 110.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myeloperoxidase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of human MPO assessed as reduction in enzyme-mediated chlorination by... | 30108726 |
| Myeloperoxidase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human MPO assessed as reduction in enzyme-mediated chlorination by... | 30108726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108726 | 10.1039/C7MD00268H | Myeloperoxidase | 5 |
| 30108726 | 10.1039/C7MD00268H | No relevant target | 2 |
| 8393115 | 10.1021/jm00066a015 | Substance-P receptor | 1 |
| 7513763 | 10.1021/jm00035a006 | Substance-P receptor | 1 |
| 7513763 | 10.1021/jm00035a006 | Substance-K receptor | 1 |
| 7513763 | 10.1021/jm00035a006 | Neuromedin-K receptor | 1 |
Data from ChEMBL 36 via Core Engine