Compound Detail
CHEMBL1673062
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Basic Information
| ChEMBL ID | CHEMBL1673062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWVYLBIQWASACG-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
207.2
MW (Da)
1.42
ALogP
2
HBA
3
HBD
83.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.12
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.12 | 5.035 | 750.0 | 4 |
| Aminopeptidase N CHEMBL2590 | Ki | 4.26 | 4.26 | 54700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 750.0 | nM | 6.12 | Inhibition of porcine kidney leucyl aminopeptidase | 18458130 |
| Unchecked | Ki | = | 9500.0 | nM | 5.02 | Inhibition of human MetAP1b F309M mutant using Met-pNA as substrate | 25699713 |
| Unchecked | Ki | = | 18900.0 | nM | 4.72 | Inhibition of Streptococcus pneumoniae MetAP1a using Met-pNA as substrate | 25699713 |
| Unchecked | Ki | = | 52200.0 | nM | 4.28 | Inhibition of Enterococcus faecalis MetAP1a using Met-pNA as substrate | 25699713 |
| Aminopeptidase N | Ki | = | 54700.0 | nM | 4.26 | Inhibition of pig kidney microsomal aminopeptidase N | 18458130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18458130 | 10.1128/aac.01327-07 | Leucine aminopeptidase | 5 |
| 25699713 | 10.1021/jm501790e | Unchecked | 4 |
| 18458130 | 10.1128/aac.01327-07 | Plasmodium falciparum | 3 |
| 18458130 | 10.1128/aac.01327-07 | Unchecked | 1 |
| 18458130 | 10.1128/aac.01327-07 | Aminopeptidase N | 1 |
| 25699713 | 10.1021/jm501790e | Methionine aminopeptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine