Compound Detail
CHEMBL6034498
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COc1ccc(C(C)(C)C)cc1C1CC2(CCN(C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL6034498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEDDBTFDQMGBJK-SKUGRUHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
4.37
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 0.4 | nM | 9.4 | Biological Assay: The assay used to measure the in vitro activity of MGL is adap... | - |
Data from ChEMBL 36 via Core Engine