Compound Detail
CHEMBL4207058
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Basic Information
| ChEMBL ID | CHEMBL4207058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIPXCTZOJNIPQS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.5
MW (Da)
6.18
ALogP
2
HBA
0
HBD
12.4
PSA (Ų)
0.21
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase CHEMBL4349 | IC50 | 6.22 | 6.22 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of recombinant human C-terminal hexa-histidine tagged NAAA expressed ... | 27766867 |
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of NAAA (unknown origin) | 31761726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27766867 | 10.1021/acs.jmedchem.6b00538 | Monoglyceride lipase | 1 |
| 27766867 | 10.1021/acs.jmedchem.6b00538 | N-acylethanolamine-hydrolyzing acid amidase | 1 |
| 27766867 | 10.1021/acs.jmedchem.6b00538 | Cannabinoid receptor 1 | 1 |
| 31761726 | 10.1016/j.bmc.2019.115195 | N-acylethanolamine-hydrolyzing acid amidase | 1 |
Data from ChEMBL 36 via Core Engine