Compound Detail
CHEMBL4292054
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Basic Information
| ChEMBL ID | CHEMBL4292054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUFNWEIFXXXWSG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
3.15
ALogP
5
HBA
0
HBD
47.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 5.97 | 5.97 | 1060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 360.0 | nM | 6.44 | Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins fol... | 29268128 |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 1060.0 | nM | 5.97 | Inhibition of human TNAP expressed in COS7 cells preincubated for 5 to 7 mins fo... | 29268128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29268128 | 10.1016/j.ejmech.2017.11.068 | Alkaline phosphatase, tissue-nonspecific isozyme | 1 |
| 29268128 | 10.1016/j.ejmech.2017.11.068 | Intestinal-type alkaline phosphatase | 1 |
Data from ChEMBL 36 via Core Engine