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Compound Detail

CHEMBL1812417

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CCCCCCCCn1c2ccccc2c2cc(CCC(=O)O)c(OCC(=O)O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812417
Phase Preclinical
Structure Type MOL
InChI Key ZVEJTPACEWXXBQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
5.64
ALogP
4
HBA
2
HBD
88.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31NO5
MW 425.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
21763147 10.1016/j.bmc.2011.06.062 Gamma-secretase 3

Data from ChEMBL 36 via Core Engine