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Compound Detail

CHEMBL4644047

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CC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)c(C(=O)O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4644047
Phase Preclinical
Structure Type MOL
InChI Key UAQKROPOMNZXSZ-CBMFITSNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
5.25
ALogP
4
HBA
3
HBD
94.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30O5
MW 386.49
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 2.24

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
31791817 10.1016/j.bmcl.2019.126808 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine