Compound Detail
CHEMBL3193527
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 | CHEMBL3193527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAGIJQUQUHPMBS-LFYBBSHMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
1.59
ALogP
6
HBA
1
HBD
62.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 4.67 | 4.67 | 21300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 2200.0 | nM | 5.66 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| No relevant target | IC50 | = | 12900.0 | nM | 4.89 | Antioxidant activity assessed as DPPH radical scavenging activity by UV-Visible ... | 24924425 |
| Intestinal-type alkaline phosphatase | IC50 | = | 21300.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24924425 | 10.1016/j.bmc.2014.05.034 | No relevant target | 3 |
| 24924425 | 10.1016/j.bmc.2014.05.034 | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine