Compound Detail
CHEMBL4876668
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C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3nnc(-c4ccc(F)cc4)n3)CCC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL4876668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZEBRGSTTMHWNI-LKTCRAKLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
6.44
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol regulatory element-binding protein 1 CHEMBL4630818 | IC50 | 5.94 | 5.94 | 1160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol regulatory element-binding protein 1 | IC50 | = | 1160.0 | nM | 5.94 | Inhibition of SREBP (unknown origin) expressed in CHO-K1 cells by luciferase rep... | 33899473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33899473 | 10.1021/acs.jmedchem.0c02179 | Unchecked | 4 |
| 33899473 | 10.1021/acs.jmedchem.0c02179 | Sterol regulatory element-binding protein 1 | 2 |
| 33899473 | 10.1021/acs.jmedchem.0c02179 | Vitamin D3 receptor | 1 |
| 33899473 | 10.1021/acs.jmedchem.0c02179 | CHO | 1 |
Data from ChEMBL 36 via Core Engine