Compound Detail
CHEMBL3359689
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Basic Information
| ChEMBL ID | CHEMBL3359689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POJCDCHYQLBLOH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3546067 |
| Active Moiety | CHEMBL3546067 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
232.2
MW (Da)
0.38
ALogP
5
HBA
3
HBD
93.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL4117 | Ki | 7.13 | 7.13 | 74.5 | 1 |
| Leucine aminopeptidase CHEMBL1293313 | Ki | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 74.5 | nM | 7.13 | Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec ... | 25299353 |
| Leucine aminopeptidase | Ki | = | 86.0 | nM | 7.07 | Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec... | 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 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine