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Compound Detail

CHEMBL3330752

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COc1ccc(-c2cc3c(s2)c2sc(-c4ccc(C=C(C#N)C#N)s4)cc2n3C(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330752
Phase Preclinical
Structure Type MOL
InChI Key DDAJQIAOPFGFGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

499.7
MW (Da)
8.51
ALogP
7
HBA
0
HBD
61.7
PSA (Ų)
0.23
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 C27H21N3OS3
MW 499.69
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.86

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