Compound Detail
CHEMBL1814393
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Basic Information
| ChEMBL ID | CHEMBL1814393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLJCFTUDTCNCIE-XNTDXEJSSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
453.3
MW (Da)
3.03
ALogP
6
HBA
2
HBD
107.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.39
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL5695 | Ki | 6.39 | 6.39 | 410.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.79 | 4.79 | 16120.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.35 | 4.35 | 44600.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL2406894 | Ki | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | Ki | = | 410.0 | nM | 6.39 | Inhibition of bovine intestinal alkaline phosphatase using p-NPP as substrate tr... | 23831808 |
| Unchecked | IC50 | = | 16120.0 | nM | 4.79 | Inhibition of bovine carbonic anhydrase assessed as formation of p-nitrophenol f... | 21555223 |
| Unchecked | Ki | = | 44600.0 | nM | 4.35 | Inhibition of porcine kidney intestinal alkaline phosphatase using p-NPP as subs... | 23831808 |
| Alkaline phosphatase, tissue-nonspecific isozyme | Ki | = | 48000.0 | nM | 4.32 | Inhibition of bovine kidney intestinal alkaline phosphatase using p-NPP as subst... | 23831808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21555223 | 10.1016/j.bmc.2011.04.040 | Unchecked | 2 |
| 23831808 | 10.1016/j.ejmech.2013.06.015 | 5'-nucleotidase | 1 |
| 23831808 | 10.1016/j.ejmech.2013.06.015 | Alkaline phosphatase, tissue-nonspecific isozyme | 1 |
| 23831808 | 10.1016/j.ejmech.2013.06.015 | Unchecked | 1 |
| 23831808 | 10.1016/j.ejmech.2013.06.015 | Intestinal-type alkaline phosphatase | 1 |
| 27054295 | 10.1016/j.ejmech.2016.02.073 | 5'-nucleotidase | 1 |
Data from ChEMBL 36 via Core Engine