Compound Detail
CHEMBL1673065
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Basic Information
| ChEMBL ID | CHEMBL1673065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMGNFIWTIPKVRQ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
243.2
MW (Da)
1.86
ALogP
2
HBA
3
HBD
83.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.48
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.48 | 6.48 | 330.0 | 1 |
| Aminopeptidase N CHEMBL2590 | Ki | 5.43 | 5.43 | 3690.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 330.0 | nM | 6.48 | Inhibition of porcine kidney leucyl aminopeptidase | 18458130 |
| Aminopeptidase N | Ki | = | 3690.0 | nM | 5.43 | Inhibition of pig kidney microsomal aminopeptidase N | 18458130 |
| Plasmodium falciparum | IC50 | = | 21000.0 | nM | 4.68 | Antimalarial activity against Plasmodium falciparum 3D7 infected in O-positive h... | 18458130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18458130 | 10.1128/aac.01327-07 | Leucine aminopeptidase | 5 |
| 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 |
Data from ChEMBL 36 via Core Engine