Compound Detail
CHEMBL4637755
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 | CHEMBL4637755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXJVKDUVRKJLIT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
2.29
ALogP
5
HBA
0
HBD
73.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase CHEMBL4349 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 7.99 | 7.99 | 10.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 2.8 | nM | 8.55 | Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumari... | 31761726 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 10.2 | nM | 7.99 | Inhibition of recombinant human FAAH expressed in Escherichia coli using fluorog... | 31761726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31761726 | 10.1016/j.bmc.2019.115195 | Unchecked | 3 |
| 31761726 | 10.1016/j.bmc.2019.115195 | N-acylethanolamine-hydrolyzing acid amidase | 1 |
| 31761726 | 10.1016/j.bmc.2019.115195 | Fatty-acid amide hydrolase 1 | 1 |
| 31761726 | 10.1016/j.bmc.2019.115195 | Monoglyceride lipase | 1 |
| 31761726 | 10.1016/j.bmc.2019.115195 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine