Compound Detail
CHEMBL170032
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CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1C[C@@H](C(=O)N(CCC)Cc2ccc(Oc3ccccc3)cc2)[C@](CC(=O)O)(C(=O)O)[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL170032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZUVGFMDDVSKSI-WIFOCOSTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
750.8
MW (Da)
7.33
ALogP
7
HBA
3
HBD
171.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene synthase CHEMBL3815 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene synthase | IC50 | = | 240.0 | nM | 6.62 | Compound was tested for inhibition of squalene synthase from rat liver microsome... | 9871507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871507 | 10.1016/s0960-894x(98)00143-7 | Squalene synthase | 1 |
Data from ChEMBL 36 via Core Engine