Compound Detail
CHEMBL370581
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Basic Information
| ChEMBL ID | CHEMBL370581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTPUQGNBJYGJTB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
235.7
MW (Da)
3.34
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase CHEMBL3423 | IC50 | 5.29 | 5.29 | 5153.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
| Methionine aminopeptidase 1 CHEMBL2474 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase | IC50 | = | 5153.0 | nM | 5.29 | Inhibition of Co2+ loaded MetAP expressed in Escherichia coli | 16420038 |
| Unchecked | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of Escherichia coli MetAP | 20621724 |
| Methionine aminopeptidase 2 | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells | 20621724 |
| Methionine aminopeptidase 1 | IC50 | = | 47000.0 | nM | 4.33 | Inhibition of human MetAP1 | 20621724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420038 | 10.1021/jm050476z | Methionine aminopeptidase | 2 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Unchecked | 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 |
| 25936258 | 10.1016/j.bmc.2015.03.085 | HUVEC | 2 |
Data from ChEMBL 36 via Core Engine