Compound Detail
CHEMBL5597943
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CCOC(=O)c1cccc(NC(=O)c2sc(Cl)cc2S(=O)(=O)N(C)c2ccc(N(C)C)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL5597943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGEMWXURBVPEKC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
522.0
MW (Da)
4.72
ALogP
7
HBA
1
HBD
96.0
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Sterol regulatory element-binding protein 1 CHEMBL4630818 | EC50 | 5.16 | 5.16 | 6900.0 | 1 |
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 5000.0 | nM | 5.3 | Agonist activity at LXR (unknown origin) stably transfected in human CCF-STTG1 c... | 39191400 |
| Sterol regulatory element-binding protein 1 | EC50 | = | 6900.0 | nM | 5.16 | Agonist activity at SREBP1c (unknown origin) stably transfected in human HepG2 c... | 39191400 |
| Oxysterols receptor LXR-alpha | EC50 | = | 11000.0 | nM | 4.96 | Agonist activity at GST tagged LXRalpha (unknown origin) using SRC1 as coactivat... | 39191400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39191400 | 10.1021/acs.jmedchem.4c00733 | Unchecked | 2 |
| 39191400 | 10.1021/acs.jmedchem.4c00733 | Sterol regulatory element-binding protein 1 | 2 |
| 39191400 | 10.1021/acs.jmedchem.4c00733 | Oxysterols receptor LXR-alpha | 1 |
| 39191400 | 10.1021/acs.jmedchem.4c00733 | Oxysterols receptor LXR-beta | 1 |
Data from ChEMBL 36 via Core Engine