Compound Detail
CHEMBL2204152
CADIOLIDE E 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
O=C1O/C(=C\c2cc(Br)c(O)c(Br)c2)C(c2ccc(O)c(Br)c2)=C1C(=O)c1cc(Br)c(O)c(Br)c1
Basic Information
| ChEMBL ID | CHEMBL2204152 |
| Name | CADIOLIDE E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKAGAUKZQSESET-DVZOWYKESA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
794.9
MW (Da)
7.85
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.14
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.6 | 4.85 | 2500.0 | 2 |
| Isocitrate lyase CHEMBL5359 | IC50 | 5.12 | 4.9133 | 7620.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of Na+/K+-ATPase by fluorometric method | 23145909 |
| Isocitrate lyase | IC50 | = | 7620.0 | nM | 5.12 | Inhibition of recombinant Candida albicans ATCC 10231 ICL using phenylhydrazine ... | 23747224 |
| Isocitrate lyase | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotometric... | 23145909 |
| Isocitrate lyase | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of Candida albicans ICL assessed as reduction in glyoxylate phenylhyd... | 31967465 |
| Unchecked | IC50 | = | 78800.0 | nM | 4.1 | Inhibition of SortaseA | 23145909 |
Literature References
Data from ChEMBL 36 via Core Engine