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Compound Detail

CHEMBL4206598

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C[C@@H]1C/C=C/CC[C@@H](O)CC(=O)Cc2cc(O)cc(O)c2C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4206598
Phase Preclinical
Structure Type MOL
InChI Key BOOGYPBXHOLWJD-FTYDKLPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
2.25
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H22O6
MW 334.37
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 2.26

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