Compound Detail
CHEMBL4097932
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
Cc1ccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)nn2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL4097932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXBONKNEIMMDCE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
5.34
ALogP
8
HBA
1
HBD
98.5
PSA (Ų)
0.28
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal alpha-glucosidase CHEMBL2608 | IC50 | 4.59 | 4.59 | 25690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal alpha-glucosidase | IC50 | = | 25690.0 | nM | 4.59 | Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glu... | 27689725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27689725 | 10.1016/j.ejmech.2016.09.067 | Lysosomal alpha-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine