Compound Detail
CHEMBL190901
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Basic Information
| ChEMBL ID | CHEMBL190901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNAXKONPRDDOBL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
388.9
MW (Da)
4.73
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta CHEMBL4093 | EC50 | 6.96 | 6.96 | 110.0 | 1 |
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.85 | 5.85 | 1420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | EC50 | = | 110.0 | nM | 6.96 | Effective concentration for Steroid receptor coactivator-1 (SRC1) recruitment to... | 16107141 |
| Oxysterols receptor LXR-alpha | EC50 | = | 130.0 | nM | 6.89 | Effective concentration for Steroid receptor coactivator-1 (SRC1) recruitment to... | 16107141 |
| Unchecked | EC50 | = | 1420.0 | nM | 5.85 | Effective concentration in human ATP binding cassette transporter A1 (ABCA1) tra... | 16107141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107141 | 10.1021/jm050532w | Oxysterols receptor LXR-alpha | 3 |
| 16107141 | 10.1021/jm050532w | Unchecked | 2 |
| 16107141 | 10.1021/jm050532w | Oxysterols receptor LXR-beta | 1 |
| 16107141 | 10.1021/jm050532w | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine