Compound Detail
CHEMBL4217588
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Basic Information
| ChEMBL ID | CHEMBL4217588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOCNQRNPQJCMDX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
2.96
ALogP
6
HBA
1
HBD
90.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 6.92 | 6.59 | 120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 120.0 | nM | 6.92 | Inhibition of TNAP (unknown origin) using PPi as substrate | 29174347 |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 550.0 | nM | 6.26 | Enzyme Kinetic Assay: To determine the inhibition selectivity for inhibitor cand... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29174347 | 10.1016/j.bmcl.2017.11.024 | Alkaline phosphatase, tissue-nonspecific isozyme | 2 |
Data from ChEMBL 36 via Core Engine