Compound Detail
CHEMBL461194
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 | CHEMBL461194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQORNRXANZIMLI-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
334.6
MW (Da)
2.76
ALogP
3
HBA
3
HBD
78.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 8.38 | 8.27 | 4.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 4.22 | nM | 8.38 | PUBCHEM_BIOASSAY: SAR assay for compounds inhibiting TNAP in the absence of phos... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 5.0 | nM | 8.3 | Inhibition of TNSALP | 19038545 |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 7.44 | nM | 8.13 | PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19038545 | 10.1016/j.bmcl.2008.10.107 | Unchecked | 2 |
| 19038545 | 10.1016/j.bmcl.2008.10.107 | Alkaline phosphatase, tissue-nonspecific isozyme | 1 |
| 19038545 | 10.1016/j.bmcl.2008.10.107 | Alkaline phosphatase, placental type | 1 |
| 19038545 | 10.1016/j.bmcl.2008.10.107 | Glyceraldehyde-3-phosphate dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine