Compound Detail
CHEMBL3403329
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 | CHEMBL3403329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTVOUBSCXARJAK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
3.19
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.51
Ki 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL2406894 | Ki | 6.89 | 6.89 | 128.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL2406894 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5695 | IC50 | 4.52 | 4.52 | 30100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | Ki | = | 128.0 | nM | 6.89 | Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star che... | 25865133 |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 310.0 | nM | 6.51 | Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star che... | 25865133 |
| Intestinal-type alkaline phosphatase | IC50 | = | 30100.0 | nM | 4.52 | Inhibition of calf intestinal alkaline phosphatase using CDP-star chemiluminesce... | 25865133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25865133 | 10.1016/j.bmc.2015.03.054 | Alkaline phosphatase, tissue-nonspecific isozyme | 2 |
| 25865133 | 10.1016/j.bmc.2015.03.054 | Intestinal-type alkaline phosphatase | 1 |
| 25865133 | 10.1016/j.bmc.2015.03.054 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine