Compound Detail
CHEMBL348724
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CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL348724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQYQVRLKCQSBAG-QKYIWSEVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
613.8
MW (Da)
2.63
ALogP
7
HBA
6
HBD
175.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pepsin A CHEMBL2714 | Ki | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pepsin A | Ki | = | 11.0 | nM | 7.96 | The compound was tested for inhibition of carboxyl protease (pepsin) inhibition | 6809942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6809942 | 10.1021/jm00349a005 | Pepsin A | 2 |
Data from ChEMBL 36 via Core Engine