Compound Detail
CHEMBL4280545
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Basic Information
| ChEMBL ID | CHEMBL4280545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPLYJXSINMNPHE-UVTDQMKNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
2.51
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 5.63 | 5.63 | 2360.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 5.43 | 5.43 | 3750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 2360.0 | nM | 5.63 | Inhibition of human TNAP expressed in African green monkey COS7 cell membranes u... | 30296687 |
| Intestinal-type alkaline phosphatase | IC50 | = | 3750.0 | nM | 5.43 | Inhibition of human IAP expressed in African green monkey COS7 cell membranes us... | 30296687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30296687 | 10.1016/j.ejmech.2018.09.063 | Alkaline phosphatase, tissue-nonspecific isozyme | 1 |
| 30296687 | 10.1016/j.ejmech.2018.09.063 | Intestinal-type alkaline phosphatase | 1 |
| 30296687 | 10.1016/j.ejmech.2018.09.063 | Unchecked | 1 |
| 30296687 | 10.1016/j.ejmech.2018.09.063 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine