Compound Detail
CHEMBL243303
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Basic Information
| ChEMBL ID | CHEMBL243303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBUZLNWDECJZMT-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
3.84
ALogP
4
HBA
2
HBD
53.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.3
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | Ki | 9.3 | 8.025 | 0.5 | 2 |
| Methionine aminopeptidase 2 CHEMBL1075272 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Methionine aminopeptidase 1 CHEMBL2474 | Ki | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | Ki | = | 0.5 | nM | 9.3 | Inhibition of human recombinant MetAP2 | 17636946 |
| Methionine aminopeptidase 2 | Ki | = | 2.0 | nM | 8.7 | Inhibition of mouse recombinant MetAP2 | 17636946 |
| Methionine aminopeptidase 2 | Ki | = | 180.0 | nM | 6.75 | Inhibition of human recombinant Mn2+-MetAP2 | 17636946 |
| NON-PROTEIN TARGET | IC50 | = | 3000.0 | nM | 5.52 | Growth inhibition of MS1 cells by XTT assay | 17636946 |
| ADMET | IC50 | = | 3000.0 | nM | 5.52 | Growth inhibition of HUVEC cells by XTT assay | 17636946 |
| Methionine aminopeptidase 1 | Ki | = | 3900.0 | nM | 5.41 | Inhibition of human recombinant MetAP1 | 17636946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17636946 | 10.1021/jm061182w | Methionine aminopeptidase 2 | 4 |
| 17636946 | 10.1021/jm061182w | Methionine aminopeptidase 1 | 1 |
| 17636946 | 10.1021/jm061182w | NON-PROTEIN TARGET | 1 |
| 17636946 | 10.1021/jm061182w | ADMET | 1 |
Data from ChEMBL 36 via Core Engine