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Compound Detail

CHEMBL5206461

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COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCO)cc3)ccc21.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5206461
Phase Preclinical
Structure Type MOL
InChI Key GDMMNQLFBKFXQB-UHFFFAOYSA-M
Parent Compound CHEMBL5222748
Active Moiety CHEMBL5222748
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.91
ALogP
4
HBA
1
HBD
47.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29ClN2O3
MW 452.98
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.34

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
35759679 10.1021/acs.jmedchem.1c01619 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine