Compound Detail
CHEMBL570577
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Basic Information
| ChEMBL ID | CHEMBL570577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REOGMQUIPSUVSU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
208.4
MW (Da)
2.88
ALogP
4
HBA
0
HBD
6.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 7943.28 | nM | 5.1 | Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid ... | 19883085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19883085 | 10.1021/jm901323s | Monoglyceride lipase | 2 |
| 22560472 | 10.1016/j.bmcl.2012.04.056 | NON-PROTEIN TARGET | 2 |
| 22560472 | 10.1016/j.bmcl.2012.04.056 | Staphylococcus aureus | 2 |
| 19883085 | 10.1021/jm901323s | Fatty-acid amide hydrolase 1 | 1 |
| 22560472 | 10.1016/j.bmcl.2012.04.056 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine