Compound Detail
CHEMBL1608577
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CCOC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2[nH]c(=O)[nH]c(=O)c12
Basic Information
| ChEMBL ID | CHEMBL1608577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIOWEACCYSXJDY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
356.3
MW (Da)
1.36
ALogP
7
HBA
2
HBD
148.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL4117 | IC50 | 5.13 | 5.13 | 7440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | IC50 | = | 7440.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Data from ChEMBL 36 via Core Engine