Compound Detail
CHEMBL3770640
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 | CHEMBL3770640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJZMVHQSWGIMLG-VIFPVBQESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
1.18
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase CHEMBL4349 | IC50 | 6.91 | 6.765 | 122.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 122.0 | nM | 6.91 | Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins foll... | 26866968 |
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 240.0 | nM | 6.62 | Inhibition recombinant human NAAA expressed in HEK293 cells after 10 mins | 27766867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26866968 | 10.1016/j.ejmech.2016.01.046 | N-acylethanolamine-hydrolyzing acid amidase | 1 |
| 27766867 | 10.1021/acs.jmedchem.6b00538 | N-acylethanolamine-hydrolyzing acid amidase | 1 |
Data from ChEMBL 36 via Core Engine