Compound Detail
CHEMBL2204157
CADIOLIDE I Enter ChEMBL ID:
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COC(=O)C1=C(c2cc(Br)c(O)c(Br)c2)C(=O)OC1=C(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
Basic Information
| ChEMBL ID | CHEMBL2204157 |
| Name | CADIOLIDE I |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BREHBFOCEMKNAS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
903.8
MW (Da)
8.32
ALogP
7
HBA
3
HBD
113.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Isocitrate lyase CHEMBL5359 | IC50 | 4.99 | 4.98 | 10360.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of Na+/K+-ATPase by fluorometric method | 23145909 |
| Isocitrate lyase | IC50 | = | 10360.0 | nM | 4.99 | Inhibition of recombinant Candida albicans ATCC 10231 ICL using phenylhydrazine ... | 23747224 |
| Isocitrate lyase | IC50 | = | 10800.0 | nM | 4.97 | Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotometric... | 23145909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23145909 | 10.1021/np3005562 | Unchecked | 2 |
| 23747224 | 10.1016/j.bmcl.2013.05.051 | Candida albicans | 2 |
| 23145909 | 10.1021/np3005562 | Isocitrate lyase | 1 |
| 23145909 | 10.1021/np3005562 | A549 | 1 |
| 23145909 | 10.1021/np3005562 | K562 | 1 |
| 23145909 | 10.1021/np3005562 | Escherichia coli | 1 |
| 23145909 | 10.1021/np3005562 | Proteus hauseri | 1 |
| 23145909 | 10.1021/np3005562 | Salmonella enterica | 1 |
| 23145909 | 10.1021/np3005562 | Kocuria rhizophila | 1 |
| 23145909 | 10.1021/np3005562 | Bacillus spizizenii | 1 |
| 23145909 | 10.1021/np3005562 | Staphylococcus aureus | 1 |
| 23747224 | 10.1016/j.bmcl.2013.05.051 | Isocitrate lyase | 1 |
Data from ChEMBL 36 via Core Engine