Compound Detail
CHEMBL345611
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Basic Information
| ChEMBL ID | CHEMBL345611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHTIXSHHLJGQCQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
2.72
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene synthase CHEMBL3815 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene synthase | Ki | = | 2.0 | nM | 8.7 | Tested for its inhibitory activity against rat microsomal quinuclidine squalene ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00053-X | Squalene synthase | 1 |
| - | 10.1016/S0960-894X(97)00053-X | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(97)00053-X | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine