Compound Detail
CHEMBL1466929
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CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccc([N+](=O)[O-])c2)nc1C
Basic Information
| ChEMBL ID | CHEMBL1466929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXNXSFLJXOVCIX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
483.5
MW (Da)
3.91
ALogP
10
HBA
1
HBD
153.1
PSA (Ų)
0.23
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 4.93 | 4.93 | 11762.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | IC50 | = | 11762.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Envelope glycoprotein gp160 | IC50 | = | 19000.0 | nM | 4.72 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
Data from ChEMBL 36 via Core Engine