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Compound Detail

CHEMBL212289

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O=C(O)COc1c(-c2ccccc2)csc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212289
Phase Preclinical
Structure Type MOL
InChI Key DKNDCPXWJCHZJV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
2.58
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.88
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 C13H10O5S
MW 278.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.78

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