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Compound Detail

CHEMBL4226959

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CN1CCN(Cc2ccccc2Nc2cc(CNCCN3CCCCC3)cc(CNCCN3CCCCC3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4226959
Phase Preclinical
Structure Type MOL
InChI Key DYYAZWGDSDERIM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

561.9
MW (Da)
4.33
ALogP
7
HBA
3
HBD
49.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H55N7
MW 561.86
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -1.07

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