Compound Detail
CHEMBL595045
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Basic Information
| ChEMBL ID | CHEMBL595045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTQHPDHGMFCHSE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
6.42
ALogP
4
HBA
0
HBD
56.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha CHEMBL2808 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1333 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha | IC50 | = | 560.0 | nM | 6.25 | Displacement of [3H]T0901317 from human recombinant LXRalpha-LBD | 19932617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19932617 | 10.1016/j.bmcl.2009.10.132 | Liver microsomes | 1 |
| 19932617 | 10.1016/j.bmcl.2009.10.132 | J774.A1 | 1 |
| 19932617 | 10.1016/j.bmcl.2009.10.132 | Liver X receptor | 1 |
| 19932617 | 10.1016/j.bmcl.2009.10.132 | Oxysterols receptor LXR-beta | 1 |
| 19932617 | 10.1016/j.bmcl.2009.10.132 | Oxysterols receptor LXR-alpha | 1 |
Data from ChEMBL 36 via Core Engine