Compound Detail
CHEMBL361529
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Basic Information
| ChEMBL ID | CHEMBL361529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVAJXVDVOFTPGR-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
5.29
ALogP
5
HBA
0
HBD
68.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.1
Ki 3 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 9.08 | 9.08 | 0.8 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3455 | Ki | 9.08 | 9.075 | 0.8 | 2 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 0.8 | nM | 9.1 | Inhibitory concentration of fatty acid amide hydrolase using FP-Rh radioligand | 15713400 |
| Fatty-acid amide hydrolase 1 | Ki | = | 0.83 | nM | 9.08 | Inhibitor affinity towards enzymes of class serine hydrolase was determined usin... | 15713400 |
| Fatty-acid amide hydrolase 1 | Ki | = | 0.83 | nM | 9.08 | Inhibition of rat FAAH | 18053726 |
| Fatty-acid amide hydrolase 1 | Ki | = | 0.85 | nM | 9.07 | Inhibitor affinity towards enzymes of class serine hydrolase was determined usin... | 15713400 |
| Liver carboxylesterase 1 | IC50 | = | 500.0 | nM | 6.3 | Inhibitory concentration of triacylgylcerol hydrolase using FP-Rh radioligand | 15713400 |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Concentration of 50% inhibition of KIAA1363 was determined using FP-Rh as radiol... | 15713400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713400 | 10.1016/j.bmcl.2004.12.085 | Fatty-acid amide hydrolase 1 | 3 |
| 15713400 | 10.1016/j.bmcl.2004.12.085 | Unchecked | 1 |
| 15713400 | 10.1016/j.bmcl.2004.12.085 | Liver carboxylesterase 1 | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Fatty-acid amide hydrolase 1 | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine