Compound Detail
CHEMBL2313945
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Basic Information
| ChEMBL ID | CHEMBL2313945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDSHCIIAYZRPGY-HIFRSBDPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
1.70
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 7.54 | 7.54 | 28.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 28.84 | nM | 7.54 | Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins b... | 23287055 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 28.6 | nM | 7.54 | Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins b... | 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 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine