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Compound Detail

CHEMBL4226598

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CN1CCN(Cc2ccccc2-c2cc(C(=O)NCCN3CCCCC3)cc(C(=O)NCCN3CCCCC3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4226598
Phase Preclinical
Structure Type MOL
InChI Key TXHWRTFCAGUONB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

574.8
MW (Da)
3.53
ALogP
6
HBA
2
HBD
71.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H50N6O2
MW 574.81
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness -1.00

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