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Compound Detail

CHEMBL4291145

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COc1cc(/C=N/NC(=S)Nc2cccc3ccccc23)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4291145
Phase Preclinical
Structure Type MOL
InChI Key WEBPANOIYHVSFO-UDWIEESQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.87
ALogP
4
HBA
3
HBD
65.9
PSA (Ų)
0.38
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 C19H17N3O2S
MW 351.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.21

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