Compound Detail
CHEMBL230641
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Basic Information
| ChEMBL ID | CHEMBL230641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMNSHLAPQLBIGP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
5.03
ALogP
5
HBA
2
HBD
53.6
PSA (Ų)
0.62
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | Ki | 8.7 | 7.26 | 2.0 | 2 |
| ADMET CHEMBL612558 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | Ki | = | 2.0 | nM | 8.7 | Inhibition of human recombinant MetAP2 | 17636946 |
| ADMET | IC50 | = | 150.0 | nM | 6.82 | Growth inhibition of HUVEC cells by XTT assay | 17636946 |
| Methionine aminopeptidase 2 | Ki | = | 1500.0 | nM | 5.82 | Inhibition of human recombinant Mn2+-MetAP2 | 17636946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17636946 | 10.1021/jm061182w | Methionine aminopeptidase 2 | 3 |
| 17636946 | 10.1021/jm061182w | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine