Compound Detail
CHEMBL445965
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Basic Information
| ChEMBL ID | CHEMBL445965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGESTPVDRGBJFB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
298.2
MW (Da)
3.52
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 7.29 | 7.29 | 51.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 51.0 | nM | 7.29 | Inhibition of TNSALP | 19038545 |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 51.1 | nM | 7.29 | PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19038545 | 10.1016/j.bmcl.2008.10.107 | Alkaline phosphatase, tissue-nonspecific isozyme | 1 |
Data from ChEMBL 36 via Core Engine