Compound Detail
CHEMBL355385
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CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@H](C(=O)N(CCC)Cc2ccc(Oc3ccccc3)cc2)[C@H](C(=O)O)C[C@@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL355385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRTCKXDSJYMNFQ-WHMCWMCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
692.8
MW (Da)
7.49
ALogP
6
HBA
2
HBD
133.7
PSA (Ų)
0.12
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene synthase CHEMBL3815 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene synthase | IC50 | = | 9100.0 | nM | 5.04 | 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