Compound Detail
CHEMBL1309949
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Basic Information
| ChEMBL ID | CHEMBL1309949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNELMGUYQOCWST-HTHTTXKWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
5.32
ALogP
5
HBA
2
HBD
94.6
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL4117 | IC50 | 4.99 | 4.99 | 10360.0 | 1 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 4.49 | 4.49 | 32620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | IC50 | = | 10360.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Leucine aminopeptidase | IC50 | = | 32620.0 | nM | 4.49 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
Data from ChEMBL 36 via Core Engine