Compound Detail
CHEMBL100727
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Basic Information
| ChEMBL ID | CHEMBL100727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBWUTEAWLNNNJV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.41
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene synthase CHEMBL3815 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene synthase | IC50 | = | 18.0 | nM | 7.75 | In vitro inhibition against rat microsomal squalene synthase (SS) | 8709131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709131 | 10.1021/jm950907l | Squalene synthase | 1 |
Data from ChEMBL 36 via Core Engine