Compound Detail
CHEMBL214053
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Basic Information
| ChEMBL ID | CHEMBL214053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPGKNTGSYJQPOQ-GDVJOBBMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
266.4
MW (Da)
2.73
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AEC CHEMBL613857 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 4.24 | 4.24 | 57500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AEC | IC50 | = | 4000.0 | nM | 5.4 | Antiproliferative activity against BAEC | 16970390 |
| Methionine aminopeptidase 2 | IC50 | = | 57500.0 | nM | 4.24 | Inhibition of human MetAP2 | 16970390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16970390 | 10.1021/jm060559v | AEC | 1 |
| 16970390 | 10.1021/jm060559v | Methionine aminopeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine