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Compound Detail

CHEMBL4289164

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CN(C)c1ccc(/C=N/NC(=S)Nc2cccc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4289164
Phase Preclinical
Structure Type MOL
InChI Key OPQWHMIFPOOJNN-KGENOOAVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.5
MW (Da)
4.23
ALogP
3
HBA
2
HBD
39.7
PSA (Ų)
0.42
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 C20H20N4S
MW 348.48
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.88

Literature References

PubMed DOI Target Context # Activities
30389409 10.1016/j.bmc.2018.10.030 Low molecular weight protein-tyrosine phosphatase A 2

Data from ChEMBL 36 via Core Engine