Compound Detail
CHEMBL3359699
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Basic Information
| ChEMBL ID | CHEMBL3359699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDRSEUSHAKMGJK-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
1.43
ALogP
6
HBA
4
HBD
122.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.85
IC50 1 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine aminopeptidase CHEMBL1293313 | Ki | 10.85 | 10.85 | 0.0 | 1 |
| Aminopeptidase N CHEMBL4117 | Ki | 8.26 | 8.26 | 5.5 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.63 | 6.63 | 233.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucine aminopeptidase | Ki | = | 0.014 | nM | 10.85 | Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec... | 25299353 |
| Aminopeptidase N | Ki | = | 5.5 | nM | 8.26 | Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec ... | 25299353 |
| Plasmodium falciparum | IC50 | = | 233.0 | nM | 6.63 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as parasite gro... | 25299353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25299353 | 10.1021/jm501323a | Leucine aminopeptidase | 1 |
| 25299353 | 10.1021/jm501323a | Aminopeptidase N | 1 |
| 25299353 | 10.1021/jm501323a | Plasmodium falciparum | 1 |
| 25299353 | 10.1021/jm501323a | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine