Compound Detail
CHEMBL3770509
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 | CHEMBL3770509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIDAPGAIOCAZMY-JTQLQIEISA-N |
1
Targets
5
Activities
1
Assay Types
3
PK Parameters
8
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
1.35
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase CHEMBL4349 | IC50 | 6.47 | 6.47 | 340.0 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 67.0 | % | Rattus norvegicus |
| F | 67.0 | % | Rattus norvegicus |
| T1/2 | 2.167 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 340.0 | nM | 6.47 | Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins foll... | 26866968 |
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 340.0 | nM | 6.47 | Inhibition of recombinant human spleen NAAA expressed in HEK293 cells using PAMC... | 27915171 |
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 340.0 | nM | 6.47 | Inhibition of recombinant human NAAA expressed in HEK293 cells preincubated for ... | 27766867 |
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 340.0 | nM | 6.47 | Inhibition of NAAA (unknown origin) | 31761726 |
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 340.0 | nM | 6.47 | Inhibition of NAAA (unknown origin) | 33900772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26866968 | 10.1016/j.ejmech.2016.01.046 | N-acylethanolamine-hydrolyzing acid amidase | 1 |
| 27915171 | 10.1016/j.ejmech.2016.11.039 | N-acylethanolamine-hydrolyzing acid amidase | 1 |
| 27915171 | 10.1016/j.ejmech.2016.11.039 | Rattus norvegicus | 1 |
| 27915171 | 10.1016/j.ejmech.2016.11.039 | Plasma | 1 |
| 27766867 | 10.1021/acs.jmedchem.6b00538 | Rattus norvegicus | 1 |
| 27766867 | 10.1021/acs.jmedchem.6b00538 | N-acylethanolamine-hydrolyzing acid amidase | 1 |
| 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