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Compound Detail

CHEMBL3739836

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CC(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(NC(=O)OCc4ccccc4)cc3)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3739836
Phase Preclinical
Structure Type MOL
InChI Key OYNMMHZJGUYKDO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.4
MW (Da)
4.84
ALogP
7
HBA
2
HBD
115.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19NO7
MW 445.43
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness 0.29

Literature References

PubMed DOI Target Context # Activities
26602279 10.1016/j.bmcl.2015.11.026 Receptor-type tyrosine-protein phosphatase S 2

Data from ChEMBL 36 via Core Engine