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Compound Detail

CHEMBL4202672

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COc1cc(O)c2c(c1)[C@H]1O[C@@H]1CC1=C(O)C(=O)C[C@@H]1C[C@H](C)OC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4202672
Phase Preclinical
Structure Type MOL
InChI Key ADTJGNWKVRRFSM-KSXIFDKSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
2.58
ALogP
7
HBA
2
HBD
105.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H20O7
MW 360.36
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 1.79

Literature References

PubMed DOI Target Context # Activities
28749671 10.1021/acs.jnatprod.7b00066 Fusarium verticillioides 1
28749671 10.1021/acs.jnatprod.7b00066 Phytophthora litchii 1
28749671 10.1021/acs.jnatprod.7b00066 HeLa 1
28749671 10.1021/acs.jnatprod.7b00066 A549 1
28749671 10.1021/acs.jnatprod.7b00066 MCF7 1

Data from ChEMBL 36 via Core Engine