Compound Detail
CHEMBL279302
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Basic Information
| ChEMBL ID | CHEMBL279302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWTBYGDYFNKVAR-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
1.04
ALogP
9
HBA
7
HBD
199.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 10.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 CHEMBL3972 | IC50 | 10.85 | 10.85 | 0.0 | 1 |
| Trifunctional purine biosynthetic protein adenosine-3 CHEMBL3690 | IC50 | 10.74 | 10.74 | 0.0 | 1 |
| Enterococcus faecium CHEMBL357 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Lacticaseibacillus casei CHEMBL613075 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 | IC50 | = | 0.014 | nM | 10.85 | Inhibition of the GAR transformylase in MOLT-4 human leukemia cells | 2498518 |
| Trifunctional purine biosynthetic protein adenosine-3 | IC50 | = | 0.018 | nM | 10.74 | Inhibition of the GAR transformylase in L1210 | 2498518 |
| Enterococcus faecium | IC50 | = | 30.0 | nM | 7.52 | Inhibition of the growth of Streptococcus faecium | 2498518 |
| Lacticaseibacillus casei | IC50 | = | 540.0 | nM | 6.27 | Inhibition of the growth of Lactobacillus casei | 2498518 |
| MOLT-4 | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of the growth of MOLT-4 human leukemia cells | 2498518 |
| MCF7 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of the growth of MCF-7 human breast adenocarcinoma cells | 2498518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2498518 | 10.1021/jm00126a022 | Trifunctional purine biosynthetic protein adenosine-3 | 3 |
| 2498518 | 10.1021/jm00126a022 | Enterococcus faecium | 1 |
| 2498518 | 10.1021/jm00126a022 | Lacticaseibacillus casei | 1 |
| 2498518 | 10.1021/jm00126a022 | MCF7 | 1 |
| 2498518 | 10.1021/jm00126a022 | MOLT-4 | 1 |
Data from ChEMBL 36 via Core Engine