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Compound Detail

CHEMBL1672889

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CCN(CC)c1ccc(-c2cn3c(n2)sc2cc(OC)ccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1672889
Phase Preclinical
Structure Type MOL
InChI Key AYZWJKLKXXTOJO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

351.5
MW (Da)
5.07
ALogP
5
HBA
0
HBD
29.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N3OS
MW 351.48
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.95

Literature References

PubMed DOI Target Context # Activities
21275403 10.1021/jm101129a Amyloid-beta precursor protein 2
21275403 10.1021/jm101129a Brain 2
21275403 10.1021/jm101129a No relevant target 1

Data from ChEMBL 36 via Core Engine