Compound Detail
CHEMBL230005
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Basic Information
| ChEMBL ID | CHEMBL230005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBEWXICVXWDFIC-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
4.56
ALogP
5
HBA
2
HBD
66.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.7
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL1075272 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | Ki | 7.62 | 6.685 | 24.0 | 2 |
| ADMET CHEMBL612558 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | Ki | = | 20.0 | nM | 7.7 | Inhibition of mouse recombinant MetAP2 | 17636946 |
| Methionine aminopeptidase 2 | Ki | = | 24.0 | nM | 7.62 | Inhibition of human recombinant MetAP2 | 17636946 |
| ADMET | IC50 | = | 40.0 | nM | 7.4 | Growth inhibition of HUVEC cells by XTT assay | 17636946 |
| NON-PROTEIN TARGET | IC50 | = | 140.0 | nM | 6.85 | Growth inhibition of MS1 cells by XTT assay | 17636946 |
| Methionine aminopeptidase 2 | Ki | = | 1800.0 | nM | 5.75 | Inhibition of human recombinant Mn2+-MetAP2 | 17636946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17636946 | 10.1021/jm061182w | Methionine aminopeptidase 2 | 4 |
| 17636946 | 10.1021/jm061182w | Aorta | 1 |
| 17636946 | 10.1021/jm061182w | NON-PROTEIN TARGET | 1 |
| 17636946 | 10.1021/jm061182w | ADMET | 1 |
Data from ChEMBL 36 via Core Engine