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Compound Detail

CHEMBL2323372

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O=C1OC(=O)c2ccc(S(=O)(=O)O)c3cccc1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2323372
Phase Preclinical
Structure Type MOL
InChI Key HOMQUHGCYPKWEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.2
MW (Da)
1.40
ALogP
5
HBA
1
HBD
97.7
PSA (Ų)
0.48
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 C12H6O6S
MW 278.24
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
23273520 10.1016/j.bmcl.2012.11.117 Thymidylate synthase 4

Data from ChEMBL 36 via Core Engine