Compound Detail
CHEMBL292530
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C[C@@H](NC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL292530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBRLADMQSZWKGO-CNDZOEFASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
546.4
MW (Da)
6.20
ALogP
3
HBA
3
HBD
103.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene synthase CHEMBL3338 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene synthase | IC50 | = | 16.0 | nM | 7.8 | Inhibitory activity against HepG2 Squalene Synthase (SQS) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00339-U | Squalene synthase | 1 |
Data from ChEMBL 36 via Core Engine