Compound Detail
CHEMBL243305
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Basic Information
| ChEMBL ID | CHEMBL243305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFDIBBRTRVLKAH-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
3.90
ALogP
5
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 2 meas. best 9.12
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | Ki | 9.12 | 7.66 | 0.8 | 2 |
| ADMET CHEMBL612558 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | Ki | = | 0.75 | nM | 9.12 | Inhibition of human recombinant MetAP2 | 17636946 |
| Methionine aminopeptidase 2 | Ki | = | 630.0 | nM | 6.2 | Inhibition of human recombinant Mn2+-MetAP2 | 17636946 |
| ADMET | IC50 | = | 2000.0 | nM | 5.7 | Growth inhibition of HUVEC cells by XTT assay | 17636946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17636946 | 10.1021/jm061182w | Methionine aminopeptidase 2 | 3 |
| 17636946 | 10.1021/jm061182w | ADMET | 1 |
Data from ChEMBL 36 via Core Engine