Compound Detail
CHEMBL62955
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Basic Information
| ChEMBL ID | CHEMBL62955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUEMZVPEAVUVHY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.3
MW (Da)
1.47
ALogP
3
HBA
3
HBD
106.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thermolysin CHEMBL3392 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 7.6 | 7.6 | 25.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thermolysin | IC50 | = | 7.0 | nM | 8.15 | Inhibition of metallopeptidase thermolysin | 8340909 |
| Angiotensin-converting enzyme | IC50 | = | 25.12 | nM | 7.6 | Inhibition of angiotensin I converting enzyme in silico | 9379435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8340909 | 10.1021/jm00067a001 | Thermolysin | 1 |
| 9379435 | 10.1021/jm970211n | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine