Compound Detail
CHEMBL569639
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Basic Information
| ChEMBL ID | CHEMBL569639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHNOYALGNIQKKQ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
393.3
MW (Da)
3.81
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 8.22 | 7.2575 | 6.0 | 4 |
| Beta-glucuronidase CHEMBL4082 | IC50 | 4.18 | 4.18 | 66500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 6.0 | nM | 8.22 | Inhibition of TNAP (unknown origin) using PPi as substrate | 29174347 |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 91.0 | nM | 7.04 | PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 120.0 | nM | 6.92 | Inhibition of TNAP transfected in african green monkey COS1 cells by colorimetri... | 19821572 |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 141.0 | nM | 6.85 | PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... | - |
| Beta-glucuronidase | IC50 | = | 66500.0 | nM | 4.18 | Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuro... | 28865280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29174347 | 10.1016/j.bmcl.2017.11.024 | Alkaline phosphatase, tissue-nonspecific isozyme | 2 |
| 19821572 | 10.1021/jm900383s | Alkaline phosphatase, tissue-nonspecific isozyme | 1 |
| 19821572 | 10.1021/jm900383s | Liver microsomes | 1 |
| 19821572 | 10.1021/jm900383s | Plasma | 1 |
| 19821572 | 10.1021/jm900383s | ADMET | 1 |
| 19821572 | 10.1021/jm900383s | No relevant target | 1 |
| 28865280 | 10.1016/j.ejmech.2017.08.052 | Beta-glucuronidase | 1 |
Data from ChEMBL 36 via Core Engine