Compound Detail
CHEMBL5404026
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C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/Cn3nnc(-c4ccccc4Cl)n3)CCC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL5404026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKVHRNXPYYONGQ-BAPRXCICSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
507.1
MW (Da)
6.96
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.39
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of SREBP/SCAP (unknown origin) transfected with CHO-K1 cells cotransf... | 37859714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37859714 | 10.1039/d3md00352c | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine