Compound Detail
CHEMBL138007
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Basic Information
| ChEMBL ID | CHEMBL138007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYTAMNASXHFOKH-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
2.55
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Ki 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-glucosidase CHEMBL5291954 | Ki | 6.38 | 6.38 | 420.0 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 6.0 | 6.0 | 990.0 | 2 |
| Alpha-glucosidase CHEMBL5291954 | IC50 | 5.94 | 5.94 | 1150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-glucosidase | Ki | = | 420.0 | nM | 6.38 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alp... | 36680985 |
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 990.0 | nM | 6.0 | Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substra... | 26183543 |
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substra... | 26183543 |
| Alpha-glucosidase | IC50 | = | 1150.0 | nM | 5.94 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alp... | 36680985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087572 | 10.1021/jm000151c | KB | 4 |
| 11087572 | 10.1021/jm000151c | HCT-8 | 2 |
| 11087572 | 10.1021/jm000151c | A549 | 2 |
| 11087572 | 10.1021/jm000151c | HOS | 2 |
| 11087572 | 10.1021/jm000151c | PC-3 | 2 |
| 11087572 | 10.1021/jm000151c | MCF7 | 2 |
| 11087572 | 10.1021/jm000151c | SK-MEL-2 | 2 |
| 11087572 | 10.1021/jm000151c | Tubulin | 2 |
| 26183543 | 10.1016/j.bmc.2015.06.063 | Poly [ADP-ribose] polymerase tankyrase-2 | 2 |
| 36680985 | 10.1016/j.ejmech.2023.115119 | Alpha-glucosidase | 2 |
| 11087572 | 10.1021/jm000151c | 1A9 | 1 |
| 11087572 | 10.1021/jm000151c | U-87 MG | 1 |
Data from ChEMBL 36 via Core Engine