Compound Detail
CHEMBL600247
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 | CHEMBL600247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCZOFBMVXKYXKV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.3
MW (Da)
3.29
ALogP
5
HBA
4
HBD
115.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 2.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-amylase 1A CHEMBL2478 | IC50 | 2.4 | 2.4 | 4000000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-amylase 1A | IC50 | = | 4000000.0 | nM | 2.4 | Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis... | 26395057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20045642 | 10.1016/j.bmcl.2009.12.060 | Unchecked | 1 |
| 26395057 | 10.1016/j.bmc.2015.09.007 | Alpha-amylase 1A | 1 |
Data from ChEMBL 36 via Core Engine