Compound Detail
CHEMBL1457077
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CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N21
Basic Information
| ChEMBL ID | CHEMBL1457077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGEGUVDQDOFFES-AJUKGGFZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
3.04
ALogP
8
HBA
2
HBD
153.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.97 | 5.97 | 1063.0 | 1 |
| Bifunctional protein GlmU CHEMBL1293297 | IC50 | 4.87 | 4.87 | 13480.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.87 | 4.87 | 13499.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.74 | 4.74 | 18300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1063.0 | nM | 5.97 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| Bifunctional protein GlmU | IC50 | = | 13480.0 | nM | 4.87 | PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra... | - |
| No relevant target | IC50 | = | 13499.0 | nM | 4.87 | PubChem BioAssay. Counterscreen for molecules that bind rCAG RNA repeats: fluore... | - |
| Envelope glycoprotein gp160 | IC50 | = | 18300.0 | nM | 4.74 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
Data from ChEMBL 36 via Core Engine