Compound Detail
CHEMBL4215669
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Basic Information
| ChEMBL ID | CHEMBL4215669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNQIFNVZSXXYRQ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
295.8
MW (Da)
3.42
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase CHEMBL2034805 | IC50 | 8.05 | 8.05 | 9.0 | 2 |
| Acid ceramidase CHEMBL2331070 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| N-acylethanolamine-hydrolyzing acid amidase CHEMBL4349 | IC50 | 8.05 | 7.9 | 9.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acid ceramidase | IC50 | = | 9.0 | nM | 8.05 | Inhibition of rat acid ceramidase expressed in HEK293 cells using N-lauroylceram... | 28802121 |
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 9.0 | nM | 8.05 | Inhibition of rat NAAA expressed in HEK293 cells using heptadecenoylethanolamide... | 28802121 |
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 9.0 | nM | 8.05 | Inhibition of rat NAAA | 31761726 |
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 9.0 | nM | 8.05 | Inhibition of NAAA (unknown origin) | 33900772 |
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 18.0 | nM | 7.75 | Determining Endocannabinoid Hydrolase Activity: In the Experimental example, end... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28802121 | 10.1016/j.ejmech.2017.08.004 | N-acylethanolamine-hydrolyzing acid amidase | 10 |
| 28802121 | 10.1016/j.ejmech.2017.08.004 | Acid ceramidase | 2 |
| 31761726 | 10.1016/j.bmc.2019.115195 | N-acylethanolamine-hydrolyzing acid amidase | 1 |
| 33900772 | 10.1021/acs.jmedchem.1c00076 | N-acylethanolamine-hydrolyzing acid amidase | 1 |
Data from ChEMBL 36 via Core Engine