Compound Detail
CHEMBL269931
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Basic Information
| ChEMBL ID | CHEMBL269931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWWCYKIIRMNUAY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
4.01
ALogP
2
HBA
0
HBD
40.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Liver carboxylesterase CHEMBL3383 | IC50 | 8.49 | 8.375 | 3.2 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 6.12 | 5.995 | 760.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Liver carboxylesterase | IC50 | = | 3.2 | nM | 8.49 | Inhibition of pig liver carboxylesterase after 15 mins | 18023188 |
| Liver carboxylesterase | IC50 | = | 5.5 | nM | 8.26 | Inhibition of pig liver carboxylesterase after 5 mins | 18023188 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 760.0 | nM | 6.12 | Inhibition of human recombinant FAAH after 5 mins | 18023188 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 1350.0 | nM | 5.87 | Inhibition of human recombinant FAAH after 15 mins | 18023188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18023188 | 10.1016/j.bmc.2007.10.081 | Liver carboxylesterase | 2 |
| 18023188 | 10.1016/j.bmc.2007.10.081 | Fatty-acid amide hydrolase 1 | 2 |
Data from ChEMBL 36 via Core Engine