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Compound Detail

CHEMBL471473

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

Basic Information

ChEMBL ID CHEMBL471473
Phase Preclinical
Structure Type MOL
InChI Key CIKHROSWJUFMED-LIXBPZJASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
3.31
ALogP
6
HBA
1
HBD
85.4
PSA (Ų)
0.62
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 C19H24O6
MW 348.39
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.75

Literature References

PubMed DOI Target Context # Activities
17067161 10.1021/np060258o SK-OV-3 1
17067161 10.1021/np060258o COLO-829 1
17067161 10.1021/np060258o HT-29 1

Data from ChEMBL 36 via Core Engine