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Compound Detail

CHEMBL3582002

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

Basic Information

ChEMBL ID CHEMBL3582002
Phase Preclinical
Structure Type MOL
InChI Key GEOUBLSPQSYFCZ-CEGSKBCRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
2.43
ALogP
8
HBA
3
HBD
130.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H40O8
MW 480.60
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 2.48

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