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Compound Detail

CHEMBL4567427

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COc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)CCC(=O)C(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4567427
Phase Preclinical
Structure Type MOL
InChI Key ARZWKYJFXLHKCZ-YAOOYPAMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
3.66
ALogP
7
HBA
2
HBD
106.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H32O7
MW 468.55
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 1.76

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