Compound Detail
CHEMBL5591314
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Basic Information
| ChEMBL ID | CHEMBL5591314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGSBQVKCJPOFSC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
3.00
ALogP
5
HBA
2
HBD
78.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL2406894 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5695 | IC50 | 5.77 | 5.77 | 1690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 270.0 | nM | 6.57 | Inhibition of bovine TNAP using CDP-star as substrate preincubated with enzyme f... | 38911171 |
| Intestinal-type alkaline phosphatase | IC50 | = | 1690.0 | nM | 5.77 | Inhibition of bovine IAP using CDP-star as substrate preincubated with enzyme fo... | 38911171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38911171 | 10.1039/d3md00653k | Alkaline phosphatase, tissue-nonspecific isozyme | 1 |
| 38911171 | 10.1039/d3md00653k | Intestinal-type alkaline phosphatase | 1 |
Data from ChEMBL 36 via Core Engine