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Compound Detail

CHEMBL3739546

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N#Cc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3739546
Phase Preclinical
Structure Type MOL
InChI Key PFGLLVXBLAJCKX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.2
MW (Da)
2.74
ALogP
5
HBA
2
HBD
94.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H9NO4
MW 279.25
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.68

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