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Compound Detail

CHEMBL4226684

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O=C(NCCN1CCCCC1)c1cc(Nc2ccccc2CN2CCOCC2)cc(C(=O)NCCN2CCCCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4226684
Phase Preclinical
Structure Type MOL
InChI Key QIHBXRCCDUYUDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

576.8
MW (Da)
3.69
ALogP
7
HBA
3
HBD
89.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H48N6O3
MW 576.79
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
29559198 10.1016/j.bmc.2018.03.016 Amyloid-beta precursor protein 2
29559198 10.1016/j.bmc.2018.03.016 SH-SY5Y 1

Data from ChEMBL 36 via Core Engine