Compound Detail
CHEMBL103966
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CC(C)[C@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3cccc(N)c3)nc2)C(=O)O)CCCC1
Basic Information
| ChEMBL ID | CHEMBL103966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWMDFQIWVHWBES-LBAQZLPGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
2.83
ALogP
6
HBA
5
HBD
134.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 | IC50 | = | 64.0 | nM | 7.19 | In vitro inhibition of Endothelin-converting enzyme 1. | 12372501 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372501 | 10.1016/s0960-894x(02)00683-2 | Endothelin-converting enzyme 1 | 1 |
Data from ChEMBL 36 via Core Engine