Compound Detail
CHEMBL3318611
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Basic Information
| ChEMBL ID | CHEMBL3318611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDKIWSBAUWXKAS-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
3.25
ALogP
5
HBA
0
HBD
50.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3455 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Monoacylglycerol lipase ABHD6 CHEMBL5010 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Monoglyceride lipase CHEMBL5774 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 10.0 | nM | 8.0 | Inhibition of recombinant rat FAAH preincubated for 3 hrs | 25037918 |
| Unchecked | Ki | = | 10.0 | nM | 8.0 | Inhibition of recombinant rat FAAH deltaTM mutant expressed in Escherichia coli ... | 30879861 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of FP-rhodamine probe binding to FAAH in mouse brain membrane proteom... | 30879861 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of FP-rhodamine probe binding to ABHD6 in mouse brain membrane proteo... | 30879861 |
| Monoglyceride lipase | IC50 | = | 450.0 | nM | 6.35 | Inhibition of FP-rhodamine probe binding to MGLL in mouse brain membrane proteom... | 30879861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30879861 | 10.1016/j.bmc.2019.03.020 | Unchecked | 4 |
| 25037918 | 10.1016/j.bmcl.2014.06.063 | No relevant target | 1 |
| 25037918 | 10.1016/j.bmcl.2014.06.063 | Fatty-acid amide hydrolase 1 | 1 |
| 30879861 | 10.1016/j.bmc.2019.03.020 | Fatty-acid amide hydrolase 1 | 1 |
| 30879861 | 10.1016/j.bmc.2019.03.020 | Monoglyceride lipase | 1 |
| 30879861 | 10.1016/j.bmc.2019.03.020 | Monoacylglycerol lipase ABHD6 | 1 |
| 30879861 | 10.1016/j.bmc.2019.03.020 | Neutral cholesterol ester hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine