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Compound Detail

CHEMBL3330738

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N#CC(C#N)=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330738
Phase Preclinical
Structure Type MOL
InChI Key IOEWULYDQMZCPE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
9.04
ALogP
5
HBA
0
HBD
50.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H19N3S2
MW 485.64
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.81

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
32546300 10.1016/j.bmc.2020.115558 HeLa 2

Data from ChEMBL 36 via Core Engine