Compound Detail
CHEMBL90048
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Basic Information
| ChEMBL ID | CHEMBL90048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAPRPWZOYLYCTM-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
2.31
ALogP
5
HBA
2
HBD
84.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase CHEMBL3423 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.89 | 6.655 | 130.0 | 2 |
| Methionine aminopeptidase 1 CHEMBL2526 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase | IC50 | = | 130.0 | nM | 6.89 | Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli | 12801227 |
| Unchecked | IC50 | = | 130.0 | nM | 6.89 | Inhibitory concentration against Methionine aminopeptidase-1 (EcMetAP1) | 15664829 |
| Methionine aminopeptidase 1 | IC50 | = | 380.0 | nM | 6.42 | Inhibitory activity against type I methionine aminopeptidase from Saccharomyces ... | 12801227 |
| Unchecked | IC50 | = | 380.0 | nM | 6.42 | Inhibitory concentration against Methionine aminopeptidase-1 (ScMetAP1) | 15664829 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664829 | 10.1016/j.bmcl.2004.11.035 | Unchecked | 2 |
| 12801227 | 10.1021/jm0300532 | Methionine aminopeptidase | 1 |
| 12801227 | 10.1021/jm0300532 | Methionine aminopeptidase 1 | 1 |
| 12801227 | 10.1021/jm0300532 | Unchecked | 1 |
| 12801227 | 10.1021/jm0300532 | Staphylococcus aureus | 1 |
| 12801227 | 10.1021/jm0300532 | Escherichia coli | 1 |
| 12801227 | 10.1021/jm0300532 | Pseudomonas aeruginosa | 1 |
| 15993057 | 10.1016/j.bmcl.2005.05.055 | Methionine aminopeptidase | 1 |
Data from ChEMBL 36 via Core Engine