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Compound Detail

CHEMBL4205875

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C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]2(C)[C@]2(C(=O)OC)C(=O)[C@@](C)(O)C(=O)[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4205875
Phase Preclinical
Structure Type MOL
InChI Key YFLYHTKEBQQZOC-JXKNLEPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.6
MW (Da)
3.44
ALogP
6
HBA
1
HBD
97.7
PSA (Ų)
0.38
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 C26H36O6
MW 444.57
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 2.43

Literature References

PubMed DOI Target Context # Activities
30207465 10.1021/acs.jnatprod.7b01050 Beta-secretase 1 1

Data from ChEMBL 36 via Core Engine