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Compound Detail

CHEMBL1672894

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CN(C)c1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1672894
Phase Preclinical
Structure Type MOL
InChI Key YKODXLWGQMSHIP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
3.99
ALogP
5
HBA
1
HBD
40.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N3OS
MW 309.39
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
21275403 10.1021/jm101129a Amyloid-beta precursor protein 2

Data from ChEMBL 36 via Core Engine