Compound Detail
CHEMBL1322977
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Basic Information
| ChEMBL ID | CHEMBL1322977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRWQWBOBZZVLQY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
2.46
ALogP
6
HBA
3
HBD
121.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 6.4 | 5.84 | 400.0 | 2 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.65 | 4.65 | 22600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green... | 24412070 |
| Intestinal-type alkaline phosphatase | IC50 | = | 5210.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 22600.0 | nM | 4.65 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24412070 | 10.1016/j.bmcl.2013.12.043 | Alkaline phosphatase, tissue-nonspecific isozyme | 1 |
| 24412070 | 10.1016/j.bmcl.2013.12.043 | Intestinal-type alkaline phosphatase | 1 |
| 24412070 | 10.1016/j.bmcl.2013.12.043 | Alkaline phosphatase, placental type | 1 |
Data from ChEMBL 36 via Core Engine