Compound Detail
CHEMBL179431
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Basic Information
| ChEMBL ID | CHEMBL179431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJCXKUHRQUYJFH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
1.35
ALogP
8
HBA
2
HBD
110.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase CHEMBL3423 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| Methionine aminopeptidase 1 CHEMBL2526 | IC50 | 5.58 | 5.58 | 2650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase | IC50 | = | 76.0 | nM | 7.12 | Inhibitory concentration required against Escherichia coli MetAP1 (150 nM) | 15993057 |
| Methionine aminopeptidase 1 | IC50 | = | 2650.0 | nM | 5.58 | Inhibitory concentration required against Saccharomyces cerevisiae MetAP1 (330 n... | 15993057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15993057 | 10.1016/j.bmcl.2005.05.055 | Methionine aminopeptidase | 1 |
| 15993057 | 10.1016/j.bmcl.2005.05.055 | Methionine aminopeptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine