Compound Detail
CHEMBL2370141
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COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)N
Basic Information
| ChEMBL ID | CHEMBL2370141 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZFJDZMNNWJKHGO-MEZLVUJESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
729.8
MW (Da)
-2.06
ALogP
11
HBA
8
HBD
275.5
PSA (Ų)
0.08
QED
3
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase CHEMBL3423 | IC50 | 4.64 | 4.64 | 22900.0 | 1 |
| Methionine aminopeptidase 1 CHEMBL2526 | IC50 | 4.02 | 4.02 | 95140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase | IC50 | = | 22900.0 | nM | 4.64 | Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli | 12801227 |
| Methionine aminopeptidase 1 | IC50 | = | 95140.0 | nM | 4.02 | Inhibitory activity against type I methionine aminopeptidase from Saccharomyces ... | 12801227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12801227 | 10.1021/jm0300532 | Methionine aminopeptidase | 1 |
| 12801227 | 10.1021/jm0300532 | Methionine aminopeptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine