Compound Detail
CHEMBL85001
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL85001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICCHAXTXJXQCRL-BTMZFSHUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
5.38
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.31
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 monooxygenase CHEMBL4241 | 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 monooxygenase | IC50 | = | 1500.0 | nM | 5.82 | Compound was evaluated for its inhibitory activity against recombinant rat SE(sq... | 11086721 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11086721 | 10.1016/s0960-894x(00)00526-6 | Squalene monooxygenase | 1 |
Data from ChEMBL 36 via Core Engine