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Compound Detail

CHEMBL4227708

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c1ccc(-c2cc(CNCCN3CCCCC3)cc(CNCCN3CCCCC3)c2)c(CN2CCCCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4227708
Phase Preclinical
Structure Type MOL
InChI Key PJLAYHOPPMRSOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

531.8
MW (Da)
5.49
ALogP
5
HBA
2
HBD
33.8
PSA (Ų)
0.33
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H53N5
MW 531.83
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.69

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