Compound Detail
CHEMBL6030416
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O=C1N[C@]2(CO1)C[C@H](C(=O)N1CCC3(CC1)CC(c1cccc(OC(F)(F)F)c1)C3)C2
Basic Information
| ChEMBL ID | CHEMBL6030416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJGCJPVHSVKODV-NBEIKUQISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
438.4
MW (Da)
3.96
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 10.03 | 10.03 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 0.094 | nM | 10.03 | Biological Assay: The assay used to measure the in vitro activity of MGL is adap... | - |
Data from ChEMBL 36 via Core Engine