Compound Detail
CHEMBL287364
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Basic Information
| ChEMBL ID | CHEMBL287364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFYRLUUNTCTRFX-DOFZRALJSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
388.6
MW (Da)
6.85
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.16
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Monoglyceride lipase CHEMBL3321 | IC50 | 4.68 | 4.4 | 21000.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of anandamide transport(ANT) was determined against human lymphoma U9... | 12672252 |
| U-937 | IC50 | = | 18000.0 | nM | 4.75 | Ability to inhibit [3H]anandamide uptake in human lymphoma U937 cells | 11741470 |
| Monoglyceride lipase | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of MGL in rat cerebellum cytosolic fractions assessed as [3H]2-oleoyl... | 17764163 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of FAAH in rat cerebellum membranes assessed as [3H]anandamide hydrol... | 17764163 |
| Monoglyceride lipase | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of MGL in rat cerebellum membrane fractions assessed as [3H]2-oleoylg... | 17764163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17764163 | 10.1021/jm070642y | Monoglyceride lipase | 4 |
| 12672252 | 10.1021/jm0210818 | Homo sapiens | 2 |
| 12672252 | 10.1021/jm0210818 | Fatty-acid amide hydrolase 1 | 2 |
| 17764163 | 10.1021/jm070642y | Fatty-acid amide hydrolase 1 | 2 |
| 12672252 | 10.1021/jm0210818 | Cannabinoid receptor 1 | 1 |
| 12672252 | 10.1021/jm0210818 | Cannabinoid receptor 2 | 1 |
| 12672252 | 10.1021/jm0210818 | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 11741470 | 10.1021/jm015545y | U-937 | 1 |
| 11741470 | 10.1021/jm015545y | Cannabinoid receptor 1 | 1 |
| 11741470 | 10.1021/jm015545y | Cannabinoid receptor 2 | 1 |
| 11741470 | 10.1021/jm015545y | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine