Compound Detail
CHEMBL2011401
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 | CHEMBL2011401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRZLHGXVUKGZAV-ZROIWOOFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.50
ALogP
5
HBA
2
HBD
77.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-amylase 1A CHEMBL2478 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-amylase 1A | IC50 | = | 62000.0 | nM | 4.21 | Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis... | 26395057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22444877 | 10.1016/j.bmc.2012.02.052 | Unchecked | 2 |
| 26395057 | 10.1016/j.bmc.2015.09.007 | Alpha-amylase 1A | 2 |
Data from ChEMBL 36 via Core Engine