Compound Detail
CHEMBL325506
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CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)NC(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL325506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXZVQWUNJMHBNF-CGNAOQOPSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
518.7
MW (Da)
2.45
ALogP
6
HBA
5
HBD
136.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pepsin A CHEMBL2714 | Ki | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pepsin A | Ki | = | 0.9 | nM | 9.05 | Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gl... | 6767029 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6767029 | 10.1021/jm00175a006 | Pepsin A | 1 |
| 6767029 | 10.1021/jm00175a006 | Renin | 1 |
Data from ChEMBL 36 via Core Engine