Compound Detail
CHEMBL313629
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Basic Information
| ChEMBL ID | CHEMBL313629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJQGJJURAWVPHK-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.70
ALogP
5
HBA
2
HBD
84.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase CHEMBL3423 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.66 | 6.385 | 220.0 | 2 |
| Methionine aminopeptidase 1 CHEMBL2526 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase | IC50 | = | 220.0 | nM | 6.66 | Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli | 12801227 |
| Unchecked | IC50 | = | 220.0 | nM | 6.66 | Inhibitory concentration against Methionine aminopeptidase-1 (EcMetAP1) | 15664829 |
| Methionine aminopeptidase 1 | IC50 | = | 770.0 | nM | 6.11 | Inhibitory activity against type I methionine aminopeptidase from Saccharomyces ... | 12801227 |
| Unchecked | IC50 | = | 770.0 | nM | 6.11 | 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 |
Data from ChEMBL 36 via Core Engine