Compound Detail
CHEMBL164856
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Basic Information
| ChEMBL ID | CHEMBL164856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVNZJHVZTWOXDY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
211.2
MW (Da)
2.33
ALogP
3
HBA
2
HBD
61.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.89 | 5.215 | 1300.0 | 2 |
| Methionine aminopeptidase CHEMBL3423 | IC50 | 5.87 | 5.87 | 1343.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of Escherichia coli MetAP | 20621724 |
| Methionine aminopeptidase | IC50 | = | 1343.0 | nM | 5.87 | Inhibition of Co2+ loaded MetAP expressed in Escherichia coli | 16420038 |
| Unchecked | IC50 | = | 29200.0 | nM | 4.54 | Inhibition of Staphylococcus aureus MetAP | 20621724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Unchecked | 3 |
| 16420038 | 10.1021/jm050476z | Methionine aminopeptidase | 2 |
| 6772786 | 10.1021/jm00181a007 | Rattus norvegicus | 1 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Methionine aminopeptidase 1 | 1 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Methionine aminopeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine