Compound Detail
CHEMBL371956
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL371956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXYMSNYVKWYLHV-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
3.24
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Core-binding factor subunit beta CHEMBL1615386 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.62 | 5.185 | 2400.0 | 2 |
| Methionine aminopeptidase CHEMBL3423 | IC50 | 5.61 | 5.61 | 2433.0 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 4.55 | 4.55 | 28400.0 | 1 |
| Methionine aminopeptidase 1 CHEMBL2474 | IC50 | 4.49 | 4.49 | 32600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Core-binding factor subunit beta | IC50 | = | 2000.0 | nM | 5.7 | FRET Assay: We have developed effective assays to monitor the inhibition of CBFβ... | - |
| Unchecked | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of Escherichia coli MetAP | 20621724 |
| Methionine aminopeptidase | IC50 | = | 2433.0 | nM | 5.61 | Inhibition of Co2+ loaded MetAP expressed in Escherichia coli | 16420038 |
| Unchecked | IC50 | = | 17900.0 | nM | 4.75 | Inhibition of Staphylococcus aureus MetAP | 20621724 |
| Methionine aminopeptidase 2 | IC50 | = | 28400.0 | nM | 4.55 | Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells | 20621724 |
| Methionine aminopeptidase 1 | IC50 | = | 32600.0 | nM | 4.49 | Inhibition of human MetAP1 | 20621724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Unchecked | 3 |
| 16420038 | 10.1021/jm050476z | Methionine aminopeptidase | 2 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Methionine aminopeptidase 1 | 2 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Methionine aminopeptidase 2 | 2 |
Data from ChEMBL 36 via Core Engine