Compound Detail
CHEMBL4643128
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
O=C(NC1CN(C2CN(C(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3)C2)C1)c1nccs1
Basic Information
| ChEMBL ID | CHEMBL4643128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKGCWPWOUSRMCA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
486.5
MW (Da)
3.77
ALogP
5
HBA
1
HBD
65.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7.0 | nM | 8.15 | Reversible inhibition of human MAGL L179S/L186S mutant using 4-methylumbellifery... | 32334914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32334914 | 10.1016/j.bmcl.2020.127198 | ADMET | 3 |
| 32334914 | 10.1016/j.bmcl.2020.127198 | Monoglyceride lipase | 2 |
| 32334914 | 10.1016/j.bmcl.2020.127198 | Fatty-acid amide hydrolase 1 | 1 |
| 32334914 | 10.1016/j.bmcl.2020.127198 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine