Compound Detail
CHEMBL373606
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Basic Information
| ChEMBL ID | CHEMBL373606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBJNNWLWHPYARC-UHFFFAOYSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
325.3
MW (Da)
5.07
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.16
Ki 4 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 9.1 | 9.1 | 0.8 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 9.1 | 9.1 | 0.8 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 6.7 | 6.7 | 200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 0.8 | nM | 9.1 | Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamid... | 17279740 |
| Fatty-acid amide hydrolase 1 | Ki | = | 0.8 | nM | 9.1 | Inhibition of rat FAAH | 18053726 |
| Fatty-acid amide hydrolase 1 | Ki | = | 0.8 | nM | 9.1 | Inhibition of rat FAAH | 18639454 |
| Fatty-acid amide hydrolase 1 | Ki | = | 0.8 | nM | 9.1 | Inhibition of FAAH | 21413808 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of rat FAAH | 18639454 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 77.0 | nM | 7.11 | Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamid... | 17279740 |
| Liver carboxylesterase 1 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of TGH | 17279740 |
| Liver carboxylesterase 1 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of TGH | 18639454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17279740 | 10.1021/jm0611509 | Fatty-acid amide hydrolase 1 | 2 |
| 17279740 | 10.1021/jm0611509 | Unchecked | 2 |
| 18639454 | 10.1016/j.bmcl.2008.06.084 | Unchecked | 2 |
| 18639454 | 10.1016/j.bmcl.2008.06.084 | Fatty-acid amide hydrolase 1 | 2 |
| 17279740 | 10.1021/jm0611509 | Neutral cholesterol ester hydrolase 1 | 1 |
| 17279740 | 10.1021/jm0611509 | Liver carboxylesterase 1 | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Fatty-acid amide hydrolase 1 | 1 |
| 18639454 | 10.1016/j.bmcl.2008.06.084 | Neutral cholesterol ester hydrolase 1 | 1 |
| 18639454 | 10.1016/j.bmcl.2008.06.084 | Liver carboxylesterase 1 | 1 |
| 21413808 | 10.1021/jm1013693 | Fatty-acid amide hydrolase 1 | 1 |
| 26584396 | 10.1021/acs.jmedchem.5b01627 | Diacylglycerol lipase-alpha | 1 |
Data from ChEMBL 36 via Core Engine