Compound Detail
CHEMBL2313949
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Basic Information
| ChEMBL ID | CHEMBL2313949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSEWBDINEPXWQK-ZBFHGGJFSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
2.29
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 8.26 | 8.26 | 5.5 | 2 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 4.01 | 4.01 | 98410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 5.495 | nM | 8.26 | Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins b... | 23287055 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 5.56 | nM | 8.26 | Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins b... | 23287055 |
| Monoglyceride lipase | IC50 | = | 98410.0 | nM | 4.01 | Inhibition of human recombinant MAGL using [3H]-2-OG as substrate incubated for ... | 23287055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23287055 | 10.1016/j.ejmech.2012.11.035 | Fatty-acid amide hydrolase 1 | 2 |
| 23287055 | 10.1016/j.ejmech.2012.11.035 | Unchecked | 1 |
| 23287055 | 10.1016/j.ejmech.2012.11.035 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine