Compound Detail
CHEMBL59775
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O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1(NC(=O)[C@@H](S)Cc2ccccc2)CCCC1
Basic Information
| ChEMBL ID | CHEMBL59775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUPIWNOUZITLIJ-UIOOFZCWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
516.7
MW (Da)
4.44
ALogP
4
HBA
4
HBD
95.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 | IC50 | = | 280.0 | nM | 6.55 | In vitro inhibition of human Endothelin converting Enzyme-1 activity | 10987444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10987444 | 10.1016/s0960-894x(00)00403-0 | Endothelin-converting enzyme 1 | 2 |
Data from ChEMBL 36 via Core Engine