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Compound Detail

CHEMBL214736

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O=C(O)COc1c(C(=O)O)sc(-c2ccccc2)c1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL214736
Phase Preclinical
Structure Type MOL
InChI Key PIPWVJPRIROLAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
4.24
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14O5S
MW 354.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
16806920 10.1016/j.bmcl.2006.06.051 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine