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Compound Detail

CHEMBL3740881

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COc1cc2oc(-c3ccc(F)cc3F)cc(=O)c2c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3740881
Phase Preclinical
Structure Type MOL
InChI Key FQDHBCSJWIUMHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
3.76
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.72
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 C18H14F2O5
MW 348.30
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.26

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