Compound Detail
CHEMBL2069333
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Basic Information
| ChEMBL ID | CHEMBL2069333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTYYXSHZANWPEB-MSOLQXFVSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
4.55
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutral cholesterol ester hydrolase 1 CHEMBL5048 | IC50 | 7.0 | 6.3633 | 100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutral cholesterol ester hydrolase 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE ... | 22877630 |
| Neutral cholesterol ester hydrolase 1 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE ... | 22877630 |
| Neutral cholesterol ester hydrolase 1 | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE ... | 22877630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22877630 | 10.1016/j.bmcl.2012.05.102 | Neutral cholesterol ester hydrolase 1 | 5 |
Data from ChEMBL 36 via Core Engine