Compound Detail
CHEMBL367931
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Basic Information
| ChEMBL ID | CHEMBL367931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNTKYYWYFQNDPP-FOWTUZBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
5.01
ALogP
5
HBA
0
HBD
64.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene--hopene cyclase CHEMBL3569 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene--hopene cyclase | IC50 | = | 1500.0 | nM | 5.82 | Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidoc... | 15050630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15050630 | 10.1016/j.bmcl.2004.01.085 | Squalene--hopene cyclase | 1 |
Data from ChEMBL 36 via Core Engine