Compound Detail
CHEMBL113263
METHYL DODECYLPHOSPHONOFLUORIDOATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL113263 |
| Name | METHYL DODECYLPHOSPHONOFLUORIDOATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUDRDSJPHLTEGD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
5.72
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3455 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 2.0 | nM | 8.7 | Inhibitory potency of Fatty-acid amide hydrolase with Mouse brain membrane | 12951114 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 3.0 | nM | 8.52 | Inhibitory potency of Fatty-acid amide hydrolase with rat brain membrane | 12951114 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 3.0 | nM | 8.52 | Irreversible inhibition of fatty acid amide hydrolase | 16078824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12951114 | 10.1016/s0960-894x(03)00721-2 | Fatty-acid amide hydrolase 1 | 2 |
| 16078824 | 10.1021/jm058183t | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine