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Compound Detail

CHEMBL3330745

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N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330745
Phase Preclinical
Structure Type MOL
InChI Key YSRLKBVMWFLNCU-ZBJSNUHESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

555.7
MW (Da)
7.95
ALogP
7
HBA
1
HBD
95.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H21N5OS2
MW 555.69
Aromatic Rings 6
Heavy Atoms 40
NP-Likeness -0.97

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