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Compound Detail

CHEMBL455605

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COc1cc(OC)c(C2COc3c(ccc4c3[C@H](O)[C@H](O)C(C)(C)O4)C2=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL455605
Phase Preclinical
Structure Type MOL
InChI Key UEXMDRWEQGYGLV-JFNSLKJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

430.4
MW (Da)
2.64
ALogP
8
HBA
2
HBD
103.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H26O8
MW 430.45
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 1.75

Literature References

PubMed DOI Target Context # Activities
10075742 10.1021/np980119+ Unchecked 1
10075742 10.1021/np980119+ Ornithine decarboxylase 1
10075742 10.1021/np980119+ MCF7 1
10075742 10.1021/np980119+ NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine