Compound Detail
CHEMBL253787
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Basic Information
| ChEMBL ID | CHEMBL253787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HODKWJKUEGNLKN-QUZDHICESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.6
MW (Da)
5.94
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol synthase CHEMBL3262 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Inhibition of pig OSC | 17521912 |
| Lanosterol synthase | IC50 | = | 700.0 | nM | 6.16 | Inhibition of rat OSC | 17521912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17521912 | 10.1016/j.bmc.2007.04.031 | Unchecked | 1 |
| 17521912 | 10.1016/j.bmc.2007.04.031 | Lanosterol synthase | 1 |
Data from ChEMBL 36 via Core Engine