Compound Detail
CHEMBL2165094
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Basic Information
| ChEMBL ID | CHEMBL2165094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCEQLURFAJQTRC-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
5.25
ALogP
4
HBA
2
HBD
94.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.77
Ki 1 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3455 | Ki | 9.31 | 9.31 | 0.5 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3455 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 6.99 | 6.99 | 102.0 | 2 |
| NIH3T3 CHEMBL614822 | IC50 | 4.72 | 4.72 | 19200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 0.49 | nM | 9.31 | Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]A... | 22779702 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 1.7 | nM | 8.77 | Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]A... | 22779702 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 102.0 | nM | 6.99 | Inhibition of human recombinant FAAH | 22779702 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 102.0 | nM | 6.99 | Inhibition of human recombinant FAAH using AMC-AA as substrate preincubated for ... | 36462439 |
| NIH3T3 | IC50 | = | 19200.0 | nM | 4.72 | Cytotoxicity against mouse NIH3T3 cells assessed as inhibition of cell growth me... | 36462439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22779702 | 10.1021/jm300689c | Mus musculus | 9 |
| 36462439 | 10.1016/j.ejmech.2022.114952 | No relevant target | 4 |
| 22779702 | 10.1021/jm300689c | Rattus norvegicus | 3 |
| 22779702 | 10.1021/jm300689c | Fatty-acid amide hydrolase 1 | 3 |
| 22779702 | 10.1021/jm300689c | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22779702 | 10.1021/jm300689c | Monoglyceride lipase | 1 |
| 22779702 | 10.1021/jm300689c | Unchecked | 1 |
| 22779702 | 10.1021/jm300689c | N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D | 1 |
| 22779702 | 10.1021/jm300689c | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 22779702 | 10.1021/jm300689c | Cannabinoid receptor 2 | 1 |
| 22779702 | 10.1021/jm300689c | Cannabinoid receptor 1 | 1 |
| 36462439 | 10.1016/j.ejmech.2022.114952 | Fatty-acid amide hydrolase 1 | 1 |
| 36462439 | 10.1016/j.ejmech.2022.114952 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine