Compound Detail
CHEMBL272111
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 | CHEMBL272111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFUHTVVDQYOCNI-UHFFFAOYSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
4.03
ALogP
4
HBA
0
HBD
66.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.7
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 9.7 | 9.6267 | 0.2 | 3 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 9.7 | 9.7 | 0.2 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Neutral cholesterol ester hydrolase 1 CHEMBL5048 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 0.2 | nM | 9.7 | Inhibition of rat FAAH | 18053726 |
| Fatty-acid amide hydrolase 1 | Ki | = | 0.2 | nM | 9.7 | Inhibition of rat recombinant FAAH expressed in Escherichia coli | 18247553 |
| Fatty-acid amide hydrolase 1 | Ki | = | 0.2 | nM | 9.7 | Inhibition of FAAH | 18983142 |
| Fatty-acid amide hydrolase 1 | Ki | = | 0.26 | nM | 9.59 | Inhibition of human recombinant FAAH | 18053726 |
| Fatty-acid amide hydrolase 1 | Ki | = | 0.26 | nM | 9.59 | Inhibition of human recombinant FAAH expressed COS7 cells | 18247553 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of rat recombinant FAAH expressed in Escherichia coli | 18247553 |
| Liver carboxylesterase 1 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of TGH | 18247553 |
| Neutral cholesterol ester hydrolase 1 | IC50 | = | 64000.0 | nM | 4.19 | Inhibition of KIAA1363 | 18247553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18247553 | 10.1021/jm701210y | Fatty-acid amide hydrolase 1 | 3 |
| 18247553 | 10.1021/jm701210y | Unchecked | 3 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Fatty-acid amide hydrolase 1 | 2 |
| 18247553 | 10.1021/jm701210y | Neutral cholesterol ester hydrolase 1 | 1 |
| 18247553 | 10.1021/jm701210y | Liver carboxylesterase 1 | 1 |
| 18983142 | 10.1021/jm800311k | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine