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Compound Detail

CHEMBL4533666

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COc1ccc(-c2cc(O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(=O)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4533666
Phase Preclinical
Structure Type MOL
InChI Key FBTYSQKRYBWBHM-YARIIHNNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

422.6
MW (Da)
6.98
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H34O4
MW 422.57
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 1.34

Literature References

PubMed DOI Target Context # Activities
31433188 10.1021/acs.jnatprod.9b00563 Acetylcholinesterase 2
31433188 10.1021/acs.jnatprod.9b00563 Danio rerio 1
31433188 10.1021/acs.jnatprod.9b00563 Cholinesterase 1

Data from ChEMBL 36 via Core Engine