Compound Detail
CHEMBL6002098
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O=C1N[C@]2(CO1)C[C@H](C(=O)N1CCC3(CC1)CC(c1ccc4c(c1)OC(F)(F)O4)C3)C2
Basic Information
| ChEMBL ID | CHEMBL6002098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKTHGVZEHMNCKB-GGYDESQDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
3.38
ALogP
5
HBA
1
HBD
77.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 1.1 | nM | 8.96 | Biological Assay: The assay used to measure the in vitro activity of MGL is adap... | - |
Data from ChEMBL 36 via Core Engine