Compound Detail
CHEMBL220784
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL220784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIKPWTFTYRRSPI-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.84
ALogP
5
HBA
0
HBD
69.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.52
Ki 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 9.05 | 9.05 | 0.9 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 6.52 | 6.52 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 0.9 | nM | 9.05 | Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamid... | 17279740 |
| Fatty-acid amide hydrolase 1 | Ki | = | 0.9 | nM | 9.05 | Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0 | 18630870 |
| Fatty-acid amide hydrolase 1 | Ki | = | 0.9 | nM | 9.05 | Inhibition of FAAH | 21413808 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamid... | 17279740 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of rat FAAH expressed in Escherichia coli | 18630870 |
| Liver carboxylesterase 1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of TGH | 17279740 |
| Liver carboxylesterase 1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of TGH | 18630870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17279740 | 10.1021/jm0611509 | Fatty-acid amide hydrolase 1 | 2 |
| 17279740 | 10.1021/jm0611509 | Unchecked | 2 |
| 18630870 | 10.1021/jm800136b | Unchecked | 2 |
| 18630870 | 10.1021/jm800136b | Fatty-acid amide hydrolase 1 | 2 |
| 17279740 | 10.1021/jm0611509 | Neutral cholesterol ester hydrolase 1 | 1 |
| 17279740 | 10.1021/jm0611509 | Liver carboxylesterase 1 | 1 |
| 18630870 | 10.1021/jm800136b | Neutral cholesterol ester hydrolase 1 | 1 |
| 18630870 | 10.1021/jm800136b | Liver carboxylesterase 1 | 1 |
| 21413808 | 10.1021/jm1013693 | Fatty-acid amide hydrolase 1 | 1 |
| 26584396 | 10.1021/acs.jmedchem.5b01627 | Diacylglycerol lipase-alpha | 1 |
Data from ChEMBL 36 via Core Engine