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Compound Detail

CHEMBL3582001

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CC(=O)O[C@H](C)/C(C)=C/C(=O)O[C@H]1C(=O)[C@@H](O)[C@@]2(C)CC[C@H](O2)C(C)(C)/C=C/[C@H](C)C(=O)C(O)C[C@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3582001
Phase Preclinical
Structure Type MOL
InChI Key LVUYCISLNYNHLM-UQQPGFJUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

522.6
MW (Da)
2.85
ALogP
9
HBA
2
HBD
136.4
PSA (Ų)
0.32
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 C28H42O9
MW 522.64
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 2.30

Literature References

PubMed DOI Target Context # Activities
25946116 10.1021/acs.jnatprod.5b00116 HCT-116 1
25946116 10.1021/acs.jnatprod.5b00116 MCF7 1
25946116 10.1021/acs.jnatprod.5b00116 PC-3 1
25946116 10.1021/acs.jnatprod.5b00116 NON-PROTEIN TARGET 1
25946116 10.1021/acs.jnatprod.5b00116 Sindbis virus 1
25946116 10.1021/acs.jnatprod.5b00116 Semliki Forest virus 1
25946116 10.1021/acs.jnatprod.5b00116 Vero 1

Data from ChEMBL 36 via Core Engine