Compound Detail
CHEMBL2171700
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Basic Information
| ChEMBL ID | CHEMBL2171700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAKCIFSNRAIAJM-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
6
PK Parameters
13
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.63
ALogP
6
HBA
0
HBD
66.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 8.21 | 7.7 | 6.1 | 2 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 7.51 | 6.802 | 31.0 | 5 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.02383 | hr | Homo sapiens |
| T1/2 | 0.1552 | hr | Canis lupus familiaris |
| T1/2 | 1.0 | hr | Cavia porcellus |
| T1/2 | 0.03433 | hr | Homo sapiens |
| T1/2 | 0.03067 | hr | Sus scrofa |
| T1/2 | 2.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 6.1 | nM | 8.21 | Inhibition of FAAH (unknown origin) | - |
| Monoglyceride lipase | IC50 | = | 31.0 | nM | 7.51 | Inhibition of His-tagged human MAGL expressed in Escherichia coli BL21(DE3) asse... | 30251836 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 65.0 | nM | 7.19 | Inhibition of FAAH (unknown origin) | 23455058 |
| Monoglyceride lipase | IC50 | = | 78.0 | nM | 7.11 | Inhibition of MAGL (unknown origin) | 23455058 |
| Monoglyceride lipase | IC50 | = | 78.0 | nM | 7.11 | Inhibition of MAGL (unknown origin) | 27267002 |
| Monoglyceride lipase | IC50 | = | 310.0 | nM | 6.51 | Inhibition of human recombinant MAGL-mediated 1,3-dihydroxypropan-1-yl 4-pyren-1... | 23455058 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 720.0 | nM | 6.14 | Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydro... | 23455058 |
| Monoglyceride lipase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of His-tagged human MAGL expressed in Escherichia coli BL21(DE3) asse... | 30251836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23153815 | 10.1016/j.ejmech.2012.10.040 | Pancreatic lipase-related protein 2 | 8 |
| 23153815 | 10.1016/j.ejmech.2012.10.040 | Pancreatic triacylglycerol lipase | 8 |
| 23153815 | 10.1016/j.ejmech.2012.10.040 | Gastric triacylglycerol lipase | 6 |
| 23153815 | 10.1016/j.ejmech.2012.10.040 | Bile salt-activated lipase | 4 |
| 27543878 | 10.1016/j.ejmech.2016.08.009 | Pancreatic triacylglycerol lipase | 4 |
| 33071055 | 10.1016/j.ejmech.2020.112908 | Unchecked | 4 |
| 30251836 | 10.1021/acs.jmedchem.8b00824 | Monoglyceride lipase | 3 |
| 23455058 | 10.1016/j.ejmech.2013.01.050 | Fatty-acid amide hydrolase 1 | 2 |
| 23455058 | 10.1016/j.ejmech.2013.01.050 | Monoglyceride lipase | 2 |
| 33071055 | 10.1016/j.ejmech.2020.112908 | Mycobacteroides abscessus | 2 |
| 23153815 | 10.1016/j.ejmech.2012.10.040 | Unchecked | 1 |
| - | 10.1039/C1MD00136A | Fatty-acid amide hydrolase 1 | 1 |
| 27267002 | 10.1016/j.ejmech.2016.05.038 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine