Compound Detail
CHEMBL4204021
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 | CHEMBL4204021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBZWOYIOOZCEHO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
1.76
ALogP
5
HBA
1
HBD
92.1
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 6.49 | 6.49 | 322.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 322.0 | nM | 6.49 | Inhibition of TNAP (unknown origin) using PPi as substrate | 29174347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29174347 | 10.1016/j.bmcl.2017.11.024 | Alkaline phosphatase, tissue-nonspecific isozyme | 2 |
Data from ChEMBL 36 via Core Engine