Compound Detail
CHEMBL2304256
SCYPTOLIN A Enter ChEMBL ID:
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CCCC(=O)N[C@@H](C)C(=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](C(C)O)C(=O)N[C@@H](Cc2ccc(O)c(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H]1C)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL2304256 |
| Name | SCYPTOLIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNWAYYCNIWZDCJ-SIIQRVCOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
967.5
MW (Da)
-1.48
ALogP
14
HBA
11
HBD
331.2
PSA (Ų)
0.09
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pancreatic elastase CHEMBL2096984 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pancreatic elastase | IC50 | = | 160.0 | nM | 6.8 | Inhibition of porcine pancreatic elastase | 17470393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17470393 | 10.1016/j.bmc.2007.03.082 | Pancreatic elastase | 1 |
Data from ChEMBL 36 via Core Engine