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Compound Detail

CHEMBL3632857

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

Basic Information

ChEMBL ID CHEMBL3632857
Phase Preclinical
Structure Type MOL
InChI Key IEHWJHMZQDRWLL-SAQJKEKHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

528.6
MW (Da)
2.99
ALogP
9
HBA
3
HBD
135.7
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H36O9
MW 528.60
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 1.95

Literature References

PubMed DOI Target Context # Activities
26159481 10.1016/j.bmcl.2015.06.047 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine