Compound Detail
CHEMBL329471
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Basic Information
| ChEMBL ID | CHEMBL329471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLSLEAPXLGIRCU-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
323.5
MW (Da)
5.27
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.72
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha CHEMBL2808 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.1 | 5.1 | 8000.0 | 2 |
| Oxysterols receptor LXR-beta CHEMBL4093 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.24 | 4.24 | 57800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha | IC50 | = | 3100.0 | nM | 5.51 | Antagonist activity at human recombinant LXRalpha expressed in HEK293 cells by l... | 18343126 |
| Unchecked | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of alpha glucosidase | 17498949 |
| Unchecked | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of Saccharomyces sp. alpha-glucosidase | 18343126 |
| Oxysterols receptor LXR-beta | IC50 | = | 18000.0 | nM | 4.75 | Antagonist activity at human recombinant LXRbeta expressed in HEK293 cells by lu... | 18343126 |
| Dipeptidyl peptidase 4 | IC50 | = | 57800.0 | nM | 4.24 | Inhibitory activity against Dipeptidylpeptidase IV (DPP IV) in human acute lymph... | 10098663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17498949 | 10.1016/j.bmcl.2007.04.090 | Unchecked | 3 |
| 10098663 | 10.1016/s0960-894x(99)00034-7 | Dipeptidyl peptidase 4 | 2 |
| 10098663 | 10.1016/s0960-894x(99)00034-7 | Aminopeptidase N | 2 |
| 10098663 | 10.1016/s0960-894x(99)00034-7 | NON-PROTEIN TARGET | 2 |
| 9288167 | 10.1021/jm970109q | HL-60 | 2 |
| 17498949 | 10.1016/j.bmcl.2007.04.090 | Oxysterols receptor LXR-alpha | 2 |
| 17498949 | 10.1016/j.bmcl.2007.04.090 | Oxysterols receptor LXR-beta | 2 |
| 18343126 | 10.1016/j.bmc.2008.02.078 | Unchecked | 2 |
| 9288167 | 10.1021/jm970109q | WI-38 | 1 |
| 17498949 | 10.1016/j.bmcl.2007.04.090 | HEK293 | 1 |
| 18343126 | 10.1016/j.bmc.2008.02.078 | Oxysterols receptor LXR-alpha | 1 |
| 18343126 | 10.1016/j.bmc.2008.02.078 | Oxysterols receptor LXR-beta | 1 |
Data from ChEMBL 36 via Core Engine