Compound Detail
CHEMBL68017
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Basic Information
| ChEMBL ID | CHEMBL68017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUXKDOKZZTUBCN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
2.59
ALogP
4
HBA
4
HBD
126.3
PSA (Ų)
0.26
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against human bronchiolar smooth muscle Endothelin-convertin... | 7783143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783143 | 10.1021/jm00012a011 | Endothelin-converting enzyme 1 | 1 |
Data from ChEMBL 36 via Core Engine