Compound Detail
CHEMBL3797297
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Basic Information
| ChEMBL ID | CHEMBL3797297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LACMUKRBDRISHX-JLHYYAGUSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
2.19
ALogP
6
HBA
2
HBD
107.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Ki 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL2406894 | Ki | 7.11 | 7.11 | 78.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL2406894 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5695 | Ki | 5.66 | 5.66 | 2180.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5695 | IC50 | 5.3 | 5.3 | 5060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | Ki | = | 78.0 | nM | 7.11 | Inhibition of bovine tissue non-specific alkaline phosphatase preincubated for 3... | 27054295 |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 180.0 | nM | 6.75 | Inhibition of bovine tissue non-specific alkaline phosphatase preincubated for 3... | 27054295 |
| Intestinal-type alkaline phosphatase | Ki | = | 2180.0 | nM | 5.66 | Inhibition of calf intestinal alkaline phosphatase preincubated for 3 to 5 mins ... | 27054295 |
| Intestinal-type alkaline phosphatase | IC50 | = | 5060.0 | nM | 5.3 | Inhibition of calf intestinal alkaline phosphatase preincubated for 3 to 5 mins ... | 27054295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27054295 | 10.1016/j.ejmech.2016.02.073 | Alkaline phosphatase, tissue-nonspecific isozyme | 3 |
| 27054295 | 10.1016/j.ejmech.2016.02.073 | Intestinal-type alkaline phosphatase | 2 |
| 27054295 | 10.1016/j.ejmech.2016.02.073 | 5'-nucleotidase | 2 |
| 27054295 | 10.1016/j.ejmech.2016.02.073 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine