Compound Detail
CHEMBL472535
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Basic Information
| ChEMBL ID | CHEMBL472535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMEFMXDKUPNZBH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
3.70
ALogP
5
HBA
1
HBD
61.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 9.0 | 8.36 | 1.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 8.52 | 8.365 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human FAAH assessed as hydrolysis of anandamido-amino-methyl-cumar... | 21392988 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of rat FAAH assessed as hydrolysis of anandamido-amino-methyl-cumarin | 21392988 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 6.2 | nM | 8.21 | Inhibition of rat FAAH preincubated for 20 mins | 18693015 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of human FAAH preincubated for 20 mins | 18693015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18693015 | 10.1016/j.bmcl.2008.07.081 | Fatty-acid amide hydrolase 1 | 2 |
| 21392988 | 10.1016/j.bmcl.2011.02.052 | Fatty-acid amide hydrolase 1 | 2 |
Data from ChEMBL 36 via Core Engine