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Compound Detail

CHEMBL4226530

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CN1CCN(Cc2ccccc2-c2cc(CNCCN3CCCCC3)cc(CNCCN3CCCCC3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4226530
Phase Preclinical
Structure Type MOL
InChI Key DCQYOHBWMMOZCH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

546.9
MW (Da)
4.25
ALogP
6
HBA
2
HBD
37.0
PSA (Ų)
0.37
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 C34H54N6
MW 546.85
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.82

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