Compound Detail
CHEMBL487942
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Basic Information
| ChEMBL ID | CHEMBL487942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXNDEWNGCMCWMA-BENRWUELSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
4.11
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 2 CHEMBL5890 | IC50 | 5.33 | 5.33 | 4630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 2 | IC50 | = | 4630.0 | nM | 5.33 | Reduction of recombinant ECE2 activity measured by McaBk2 fluorescent substrate ... | 18507370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18507370 | 10.1021/jm7015478 | Endothelin-converting enzyme 2 | 1 |
Data from ChEMBL 36 via Core Engine