Compound Detail
CHEMBL187262
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 | CHEMBL187262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQRORFVVSGFNRO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
-1.45
ALogP
5
HBA
4
HBD
84.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CuFi-1 CHEMBL4513124 | IC50 | 9.02 | 9.02 | 0.9 | 1 |
| Beta-glucosidase CHEMBL3761 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CuFi-1 | IC50 | = | 0.95 | nM | 9.02 | Anti-inflammatory activity in human CuFi1 cells assessed as reduction in Pseudom... | 31075609 |
| Beta-glucosidase | IC50 | = | 260.0 | nM | 6.58 | Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substr... | 31075609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31075609 | 10.1016/j.ejmech.2019.04.061 | CuFi-1 | 5 |
| 31075609 | 10.1016/j.ejmech.2019.04.061 | Pseudomonas aeruginosa | 4 |
| 31075609 | 10.1016/j.ejmech.2019.04.061 | Beta-glucosidase | 2 |
| 31075609 | 10.1016/j.ejmech.2019.04.061 | Lysosomal acid glucosylceramidase | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 31075609 | 10.1016/j.ejmech.2019.04.061 | Unchecked | 1 |
| 31075609 | 10.1016/j.ejmech.2019.04.061 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine