Compound Detail
CHEMBL596757
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Basic Information
| ChEMBL ID | CHEMBL596757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBKGVYYUEQPQPO-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
4.33
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 6.3 | 5.5625 | 500.0 | 4 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of FAAH in Sprague-Dawley rat cerebellum membranes pre-incubated for ... | 23043222 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of FAAH-mediated [3H]AEA hydrolysis in rat brain homogenate by liquid... | 20143779 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 1318.26 | nM | 5.88 | Inhibition of FAAH-mediated [3H]AEA hydrolysis in rat brain homogenate by liquid... | 20143779 |
| Prostaglandin G/H synthase 2 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of sheep COX2 pre-incubated for 5 mins before anandamide acid substra... | 23043222 |
| Prostaglandin G/H synthase 1 | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of sheep COX1 pre-incubated for 5 mins before arachidonic acid substr... | 23043222 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 66000.0 | nM | 4.18 | Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before add... | 23043222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20143779 | 10.1021/jm901891p | Fatty-acid amide hydrolase 1 | 3 |
| 23043222 | 10.1021/jm3011146 | Prostaglandin G/H synthase 1 | 3 |
| 23043222 | 10.1021/jm3011146 | Prostaglandin G/H synthase 2 | 2 |
| 23043222 | 10.1021/jm3011146 | Fatty-acid amide hydrolase 1 | 2 |
| 20143779 | 10.1021/jm901891p | Monoglyceride lipase | 1 |
| 28535469 | 10.1016/j.ejmech.2017.05.033 | Prostaglandin G/H synthase 2 | 1 |
| 28535469 | 10.1016/j.ejmech.2017.05.033 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine