Compound Detail
CHEMBL1356127
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Basic Information
| ChEMBL ID | CHEMBL1356127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHQCVRDHOXMOLR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
4.50
ALogP
6
HBA
0
HBD
48.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Kd 1 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | Kd | 6.15 | 6.15 | 710.0 | 1 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 5.55 | 5.55 | 2840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | Kd | = | 710.0 | nM | 6.15 | Binding affinity to MAGL (unknown origin) by SPR analysis | 33766770 |
| Monoglyceride lipase | IC50 | = | 2840.0 | nM | 5.55 | Inhibition of MAGL (unknown origin) | 33766770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33766770 | 10.1016/j.bmcl.2021.127986 | Monoglyceride lipase | 6 |
| 33766770 | 10.1016/j.bmcl.2021.127986 | RAW264.7 | 3 |
Data from ChEMBL 36 via Core Engine