Compound Detail
CHEMBL4558017
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 | CHEMBL4558017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTSKMXPXHWKYDK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
3.01
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL3321 | IC50 | 6.87 | 6.87 | 135.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 135.0 | nM | 6.87 | Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylgl... | 31714779 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31714779 | 10.1021/acs.jmedchem.9b01679 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine