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Compound Detail

CHEMBL4636152

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C[C@H]1OC(=O)c2c(O)cc(O)cc2CC(=O)CCCC/C=C/[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4636152
Phase Preclinical
Structure Type MOL
InChI Key PUBJBUSNXLSOQM-YWDVGMFKSA-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 Unknown
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 2.23

Literature References

PubMed DOI Target Context # Activities
32323537 10.1021/acs.jnatprod.9b01167 A549 1
32323537 10.1021/acs.jnatprod.9b01167 769-P 1
32323537 10.1021/acs.jnatprod.9b01167 HCT-116 1
32323537 10.1021/acs.jnatprod.9b01167 T-cell 1
32323537 10.1021/acs.jnatprod.9b01167 B-cell line 1

Data from ChEMBL 36 via Core Engine