Compound Detail
CHEMBL1334886
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Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3n[nH]c4c5ccccc5nc-4n3)cc2)c1C
Basic Information
| ChEMBL ID | CHEMBL1334886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRHJFKGWTWJTFY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
3.59
ALogP
9
HBA
3
HBD
155.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 5.59 | 5.59 | 2570.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.66 | 4.66 | 21880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucine aminopeptidase | IC50 | = | 2570.0 | nM | 5.59 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
| Aminopeptidase N | IC50 | = | 21880.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Data from ChEMBL 36 via Core Engine