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Compound Detail

CHEMBL3330741

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O=C1NC(=O)C(=Cc2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330741
Phase Preclinical
Structure Type MOL
InChI Key BOPCKBMAYRPMNW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

547.7
MW (Da)
7.36
ALogP
6
HBA
2
HBD
78.5
PSA (Ų)
0.17
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H21N3O3S2
MW 547.66
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -0.67

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