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Compound Detail

CHEMBL3330749

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

Basic Information

ChEMBL ID CHEMBL3330749
Phase Preclinical
Structure Type MOL
InChI Key GKPSACHHYYXJPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
4.96
ALogP
4
HBA
0
HBD
26.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12O2S2
MW 300.40
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.51

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