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Compound Detail

CHEMBL1669192

MILITARINONE F
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CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(=O)c1c(O)c([C@]23CC[C@H](CC2)O3)cn(O)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1669192
Name MILITARINONE F
Phase Preclinical
Structure Type MOL
InChI Key HJCSSOXITDMEEP-FOBKFMRFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

441.6
MW (Da)
5.27
ALogP
6
HBA
2
HBD
88.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H35NO5
MW 441.57
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 2.15

Literature References

PubMed DOI Target Context # Activities
21158423 10.1021/np100568w A549 2
21158423 10.1021/np100568w Staphylococcus aureus 1
21158423 10.1021/np100568w Streptococcus pneumoniae 1

Data from ChEMBL 36 via Core Engine