Compound Detail
CHEMBL450713
KEMPOPEPTIN A Enter ChEMBL ID:
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CC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL450713 |
| Name | KEMPOPEPTIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGRWMTIDCSTQOO-XADDPKOHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
991.1
MW (Da)
-0.22
ALogP
13
HBA
8
HBD
293.4
PSA (Ų)
0.13
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Pancreatic elastase CHEMBL2096984 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 320.0 | nM | 6.5 | Inhibition of bovine alpha chymotrypsin | 18693761 |
| Pancreatic elastase | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of pig pancreatic elastase | 18693761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18693761 | 10.1021/np8002172 | Unchecked | 2 |
| 18693761 | 10.1021/np8002172 | Pancreatic elastase | 1 |
Data from ChEMBL 36 via Core Engine