Compound Detail
CHEMBL3765578
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CC1(C)CCc2cc(S(=O)(=O)N(CC(=O)O)C3(c4cccc(-c5cc(Cl)cc(Cl)c5)c4)CCCC3)ccc2O1
Basic Information
| ChEMBL ID | CHEMBL3765578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHRCDTBILOTJST-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
588.5
MW (Da)
7.31
ALogP
4
HBA
1
HBD
83.9
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha | IC50 | = | 0.9 | nM | 9.05 | Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK2... | 26917221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26917221 | 10.1016/j.bmc.2016.02.006 | Diacylglycerol lipase-alpha | 1 |
Data from ChEMBL 36 via Core Engine