Compound Detail
CHEMBL1669191
MILITARINONE E Enter ChEMBL ID:
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CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(=O)c1c(O)c(C2=CC[C@@H](O)CC2)cn(O)c1=O
Basic Information
| ChEMBL ID | CHEMBL1669191 |
| Name | MILITARINONE E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFJKFLDLQKCOHR-BFIBXSCBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
5.03
ALogP
6
HBA
3
HBD
99.8
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 5.8 | 5.8 | 1590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 1590.0 | nM | 5.8 | Cytotoxicity against human A549 cells assessed as inhibition of cell viability b... | 21158423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21158423 | 10.1021/np100568w | A549 | 1 |
| 21158423 | 10.1021/np100568w | Staphylococcus aureus | 1 |
| 21158423 | 10.1021/np100568w | Streptococcus pneumoniae | 1 |
| 21158423 | 10.1021/np100568w | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine