Compound Detail
CHEMBL5094280
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 | CHEMBL5094280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXBBOGPPOSZAOZ-ACCUITESSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
3.51
ALogP
5
HBA
1
HBD
76.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol 14-alpha demethylase CHEMBL1780 | IC50 | 6.49 | 6.49 | 323.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lanosterol 14-alpha demethylase | IC50 | = | 323.0 | nM | 6.49 | Inhibition of CYP51 in Candida albicans ATCC SC5314 measured after 30 mins by HP... | 34772530 |
| Unchecked | IC50 | = | 650.0 | nM | 6.19 | Inhibition of SE in Candida albicans ATCC SC5314 measured after 30 mins by HPLC ... | 34772530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34772530 | 10.1016/j.ejmech.2021.113972 | Candida albicans | 13 |
| 34772530 | 10.1016/j.ejmech.2021.113972 | ADMET | 8 |
| 34772530 | 10.1016/j.ejmech.2021.113972 | Unchecked | 6 |
| 34772530 | 10.1016/j.ejmech.2021.113972 | Nakaseomyces glabratus | 1 |
| 34772530 | 10.1016/j.ejmech.2021.113972 | Pichia kudriavzevii | 1 |
| 34772530 | 10.1016/j.ejmech.2021.113972 | Candida tropicalis | 1 |
| 34772530 | 10.1016/j.ejmech.2021.113972 | Aspergillus fumigatus | 1 |
| 34772530 | 10.1016/j.ejmech.2021.113972 | Lanosterol 14-alpha demethylase | 1 |
| 34772530 | 10.1016/j.ejmech.2021.113972 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine