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Compound Detail

CHEMBL3330750

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COc1ccc(-c2ccc(-c3ccc(C=C(C#N)C#N)s3)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330750
Phase Preclinical
Structure Type MOL
InChI Key AKAXDBSDKCYHOX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
5.58
ALogP
5
HBA
0
HBD
56.8
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12N2OS2
MW 348.45
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
25086914 10.1016/j.ejmech.2014.07.095 Amyloid-beta precursor protein 2
25086914 10.1016/j.ejmech.2014.07.095 Microtubule-associated protein tau 2

Data from ChEMBL 36 via Core Engine