Compound Detail
CHEMBL505477
KEMPOPEPTIN B Enter ChEMBL ID:
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CCCC(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](Cc2ccc(OC)c(Br)c2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL505477 |
| Name | KEMPOPEPTIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BESCRSMOIPNLKZ-PKCAXSCZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
994.0
MW (Da)
1.79
ALogP
12
HBA
7
HBD
267.9
PSA (Ų)
0.09
QED
3
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of pig pancreatic trypsin | 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