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Compound Detail

CHEMBL1077058

CHISONIMBOLININ F
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C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](O)[C@@](C)([C@@H]23)[C@H]2CCO[C@H]3C[C@@H](C4=CCOC4=O)C(C)=C3[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1077058
Name CHISONIMBOLININ F
Phase Preclinical
Structure Type MOL
InChI Key POBWGJYVMWYKSK-YPDGQOBJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

584.7
MW (Da)
3.83
ALogP
9
HBA
1
HBD
117.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C33H44O9
MW 584.71
Aromatic Rings 0
Heavy Atoms 42
NP-Likeness 3.54

Literature References

PubMed DOI Target Context # Activities
25798528 10.1021/np501057f Tobacco mosaic virus 4
19943621 10.1021/np900485t HeLa 1
19943621 10.1021/np900485t SMMC-7721 1
25798528 10.1021/np501057f HL-60 1
25798528 10.1021/np501057f SMMC-7721 1
25798528 10.1021/np501057f A549 1
25798528 10.1021/np501057f MCF7 1
25798528 10.1021/np501057f SW480 1

Data from ChEMBL 36 via Core Engine