Compound Detail
CHEMBL291683
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Basic Information
| ChEMBL ID | CHEMBL291683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVBSEMAAHOLPTA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.3
MW (Da)
1.16
ALogP
10
HBA
6
HBD
174.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene monooxygenase CHEMBL4241 | IC50 | 4.79 | 4.79 | 16400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene monooxygenase | IC50 | = | 16400.0 | nM | 4.79 | Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase... | 11520216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8289196 | 10.1021/jm00027a025 | Protein kinase C (PKC) | 1 |
| 11520216 | 10.1021/np010100y | Squalene monooxygenase | 1 |
Data from ChEMBL 36 via Core Engine