Compound Detail
CHEMBL2448554
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC1=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2448554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWQHVNJACYCYPN-XFJQDXOISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
2282.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymotrypsin-like elastase family member 1 CHEMBL3000 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Prolyl endopeptidase CHEMBL3202 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymotrypsin-like elastase family member 1 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Flavobacterium meningosepticum PEP | 11809072 |
| Prolyl endopeptidase | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of prolyl oligopeptidase (unknown origin) | 24948566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11809072 | 10.1021/np010194b | Chymotrypsin-like elastase family member 1 | 1 |
| 24948566 | 10.1016/j.bmcl.2014.05.091 | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine