Compound Detail
CHEMBL404480
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Basic Information
| ChEMBL ID | CHEMBL404480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGFXOLJQAAPECN-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
261.2
MW (Da)
0.34
ALogP
5
HBA
2
HBD
118.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.1
IC50 1 meas. best 3.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 1 CHEMBL2474 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 3.0 | 3.0 | 1000000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 1 | Ki | = | 8000.0 | nM | 5.1 | Inhibition of human methionine aminopeptidase 1 | 18343108 |
| Unchecked | IC50 | = | 1000000.0 | nM | 3.0 | Inhibition of Mycobacterium tuberculosis Uracil-DNA glycosylase using 5' 32P end... | 37399710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37399710 | 10.1016/j.ejmech.2023.115604 | Unchecked | 2 |
| 18343108 | 10.1016/j.bmcl.2008.02.066 | Unchecked | 1 |
| 18343108 | 10.1016/j.bmcl.2008.02.066 | Methionine aminopeptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine