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Compound Detail

CHEMBL1672888

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COc1ccc2c(c1)sc1nc(-c3ccc(N4CCCC4)cc3)cn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1672888
Phase Preclinical
Structure Type MOL
InChI Key HRLWBAVQUARNDX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
4.82
ALogP
5
HBA
0
HBD
29.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3OS
MW 349.46
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.93

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