Compound Detail
CHEMBL5074982
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CC1(c2cccc(C34CCN(C(=O)[C@H]5C[C@]6(COC(=O)N6)C5)CC3C4)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL5074982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCONYWFGXWHFGE-QGHRMTQGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
3.12
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 10.62 | 10.62 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 0.024 | nM | 10.62 | Inhibition of human MGL expressed in human HeLa cells assessed as amount of clea... | 35059118 |
| Monoglyceride lipase | IC50 | = | 0.024 | nM | 10.62 | Inhibition of MGL activity in human HeLa cells assessed as reduction in cleaved ... | 37197472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35059118 | 10.1021/acsmedchemlett.1c00679 | Monoglyceride lipase | 1 |
| 37197472 | 10.1021/acsmedchemlett.3c00121 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine