Compound Detail
CHEMBL5996643
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CC(C)c1cccc(C2CC3(CCN(C(=O)[C@H]4C[C@]5(COC(=O)N5)C4)CC3)C2)c1
Basic Information
| ChEMBL ID | CHEMBL5996643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNOYIGXQDWKOGJ-RZJSWYKGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
4.18
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 10.39 | 9.62 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 0.041 | nM | 10.39 | Biological Assay: The assay used to measure the in vitro activity of MGL is adap... | - |
| Monoglyceride lipase | IC50 | = | 1.4 | nM | 8.85 | Biological Assay: The assay used to measure the in vitro activity of MGL is adap... | - |
Data from ChEMBL 36 via Core Engine