Compound Detail
CHEMBL398686
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
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(CC3CO3)[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(O)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL398686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYBXFTKMXVTULJ-GURYXTELSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.7
MW (Da)
6.74
ALogP
3
HBA
2
HBD
53.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol 14-alpha demethylase CHEMBL4981 | Ki | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lanosterol 14-alpha demethylase | Ki | = | 600.0 | nM | 6.22 | Inhibition of rat liver LDM | 17521912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17521912 | 10.1016/j.bmc.2007.04.031 | Lanosterol 14-alpha demethylase | 1 |
Data from ChEMBL 36 via Core Engine