Compound Detail
CHEMBL513553
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Basic Information
| ChEMBL ID | CHEMBL513553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCAFZHFLIBYWGO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
2.95
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 8.62 | 8.315 | 2.4 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 8.42 | 8.24 | 3.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 2.4 | nM | 8.62 | Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1... | 23218778 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 3.8 | nM | 8.42 | Apparent inhibition of rat FAAH after 30 mins | 23218778 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 8.7 | nM | 8.06 | Inhibition of rat FAAH preincubated for 10 mins | 18693015 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 9.8 | nM | 8.01 | Inhibition of human FAAH preincubated for 10 mins | 18693015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23218778 | 10.1016/j.bmc.2012.11.006 | Fatty-acid amide hydrolase 1 | 3 |
| 18693015 | 10.1016/j.bmcl.2008.07.081 | Fatty-acid amide hydrolase 1 | 2 |
| 23218778 | 10.1016/j.bmc.2012.11.006 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine