Compound Detail
CHEMBL1814397
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1814397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTBRCVNACGXQSS-XNTDXEJSSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
2.41
ALogP
6
HBA
2
HBD
107.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.33
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-nucleotidase CHEMBL1075214 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| 5'-nucleotidase CHEMBL1075214 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.94 | 4.94 | 11370.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5695 | Ki | 4.77 | 4.77 | 17100.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL2406894 | Ki | 4.75 | 4.75 | 18000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.7 | 4.7 | 19900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-nucleotidase | Ki | = | 47.0 | nM | 7.33 | Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated fo... | 27054295 |
| 5'-nucleotidase | IC50 | = | 990.0 | nM | 6.0 | Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated fo... | 27054295 |
| Unchecked | IC50 | = | 11370.0 | nM | 4.94 | Inhibition of bovine carbonic anhydrase assessed as formation of p-nitrophenol f... | 21555223 |
| Intestinal-type alkaline phosphatase | Ki | = | 17100.0 | nM | 4.77 | Inhibition of bovine intestinal alkaline phosphatase using p-NPP as substrate tr... | 23831808 |
| Alkaline phosphatase, tissue-nonspecific isozyme | Ki | = | 18000.0 | nM | 4.75 | Inhibition of bovine kidney intestinal alkaline phosphatase using p-NPP as subst... | 23831808 |
| Unchecked | Ki | = | 19900.0 | nM | 4.7 | Inhibition of porcine kidney intestinal alkaline phosphatase using p-NPP as subs... | 23831808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21555223 | 10.1016/j.bmc.2011.04.040 | Unchecked | 2 |
| 27054295 | 10.1016/j.ejmech.2016.02.073 | 5'-nucleotidase | 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 |
Data from ChEMBL 36 via Core Engine