Compound Detail
CHEMBL4213116
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Basic Information
| ChEMBL ID | CHEMBL4213116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSJUYLFAODJCMV-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
404.9
MW (Da)
4.22
ALogP
5
HBA
1
HBD
77.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 7.64 | 6.24 | 23.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 23.0 | nM | 7.64 | 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... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 550.0 | nM | 6.26 | Enzyme Kinetic Assay: To determine the inhibition selectivity for inhibitor cand... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of TNAP (unknown origin) in whole blood using pNPP as substrate | 29174347 |
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